Year |
Citation |
Score |
2023 |
Kaczun T, Dempwolff AL, Huang X, Gelin MF, Domcke W, Dreuw A. Tuning UV Pump X-ray Probe Spectroscopy on the Nitrogen K Edge Reveals the Radiationless Relaxation of Pyrazine: Simulations Using the Quasiclassical Doorway-Window Approximation. The Journal of Physical Chemistry Letters. 14: 5648-5656. PMID 37310800 DOI: 10.1021/acs.jpclett.3c01018 |
0.667 |
|
2022 |
Gelin MF, Chen L, Domcke W. Equation-of-Motion Methods for the Calculation of Femtosecond Time-Resolved 4-Wave-Mixing and -Wave-Mixing Signals. Chemical Reviews. PMID 36278801 DOI: 10.1021/acs.chemrev.2c00329 |
0.547 |
|
2022 |
Huang X, Domcke W. trajectory surface-hopping dynamics studies of excited-state proton-coupled electron transfer reactions in trianisoleheptazine-phenol complexes. Physical Chemistry Chemical Physics : Pccp. 24: 15925-15936. PMID 35726762 DOI: 10.1039/d2cp01262f |
0.382 |
|
2021 |
Huang X, Xie W, Došlić N, Gelin MF, Domcke W. Ab Initio Quasiclassical Simulation of Femtosecond Time-Resolved Two-Dimensional Electronic Spectra of Pyrazine. The Journal of Physical Chemistry Letters. 11736-11744. PMID 34851116 DOI: 10.1021/acs.jpclett.1c03589 |
0.613 |
|
2021 |
Piteša T, Sapunar M, Ponzi A, Gelin MF, Došlić N, Domcke W, Decleva P. Combined Surface-Hopping, Dyson Orbital, and B-Spline Approach for the Computation of Time-Resolved Photoelectron Spectroscopy Signals: The Internal Conversion in Pyrazine. Journal of Chemical Theory and Computation. PMID 34269561 DOI: 10.1021/acs.jctc.1c00396 |
0.629 |
|
2021 |
Vasilyev OA, Nandipati KR, Navarkin IS, Solomonik VG, Domcke W. Strong static and dynamic Jahn-Teller and pseudo-Jahn-Teller effects in niobium tetrafluoride. The Journal of Chemical Physics. 154: 124305. PMID 33810698 DOI: 10.1063/5.0045905 |
0.364 |
|
2021 |
Gelin MF, Huang X, Xie W, Chen L, Došlić NA, Domcke W. Ab Initio Surface-Hopping Simulation of Femtosecond Transient-Absorption Pump-Probe Signals of Nonadiabatic Excited-State Dynamics Using the Doorway-Window Representation. Journal of Chemical Theory and Computation. PMID 33755464 DOI: 10.1021/acs.jctc.1c00109 |
0.632 |
|
2021 |
Milovanović B, Novak J, Etinski M, Domcke W, Došlić N. Simulation of UV absorption spectra and relaxation dynamics of uracil and uracil-water clusters. Physical Chemistry Chemical Physics : Pccp. 23: 2594-2604. PMID 33475644 DOI: 10.1039/d0cp05618a |
0.309 |
|
2020 |
Sun K, Xie W, Chen L, Domcke W, Gelin MF. Multi-faceted spectroscopic mapping of ultrafast nonadiabatic dynamics near conical intersections: A computational study. The Journal of Chemical Physics. 153: 174111. PMID 33167631 DOI: 10.1063/5.0024148 |
0.65 |
|
2020 |
Domcke W, Sobolewski AL, Schlenker CW. Photooxidation of water with heptazine-based molecular photocatalysts: Insights from spectroscopy and computational chemistry. The Journal of Chemical Physics. 153: 100902. PMID 32933269 DOI: 10.1063/5.0019984 |
0.395 |
|
2020 |
Binz M, Bruder L, Chen L, Gelin MF, Domcke W, Stienkemeier F. Effects of high pulse intensity and chirp in two-dimensional electronic spectroscopy of an atomic vapor. Optics Express. 28: 25806-25829. PMID 32906864 DOI: 10.1364/Oe.396108 |
0.61 |
|
2020 |
Huang X, Aranguren JP, Ehrmaier J, Noble JA, Xie W, Sobolewski AL, Dedonder-Lardeux C, Jouvet C, Domcke W. Photoinduced water oxidation in pyrimidine-water clusters: a combined experimental and theoretical study. Physical Chemistry Chemical Physics : Pccp. PMID 32452507 DOI: 10.1039/D0Cp01562H |
0.306 |
|
2020 |
Domcke W, Sobolewski AL. Tracking both ultrafast electrons and nuclei. Science (New York, N.Y.). 368: 820-821. PMID 32439776 DOI: 10.1126/Science.Abb9937 |
0.345 |
|
2020 |
Ehrmaier J, Huang X, Rabe EJ, Corp KL, Schlenker CW, Sobolewski AL, Domcke W. Molecular Design of Heptazine-based Photocatalysts: Effect of Substituents on Photocatalytic Efficiency and Photostability. The Journal of Physical Chemistry. A. PMID 32315528 DOI: 10.1021/Acs.Jpca.0C00488 |
0.378 |
|
2020 |
Nandipati KR, Vasilyev OA, Navarkin IS, Solomonik VG, Domcke W. First-principles study of large-amplitude dynamic Jahn–Teller effects in vanadium tetrafluoride The Journal of Chemical Physics. 152: 094304. DOI: 10.1063/1.5131739 |
0.409 |
|
2020 |
Corp KL, Rabe EJ, Huang X, Ehrmaier J, Kaiser ME, Sobolewski AL, Domcke W, Schlenker CW. Control of Excited-State Proton-Coupled Electron Transfer by Ultrafast Pump-Push-Probe Spectroscopy in Heptazine-Phenol Complexes: Implications for Photochemical Water Oxidation The Journal of Physical Chemistry C. 124: 9151-9160. DOI: 10.1021/Acs.Jpcc.0C00415 |
0.434 |
|
2019 |
Sapunar M, Domcke W, Došlić N. UV absorption spectra of DNA bases in the 350-190 nm range: assignment and state specific analysis of solvation effects. Physical Chemistry Chemical Physics : Pccp. PMID 31595896 DOI: 10.1039/C9Cp04662C |
0.474 |
|
2019 |
Poluyanov LV, Domcke W, Mishra S. Spin-orbit vibronic coupling in Π4 states of linear triatomic molecules. The Journal of Chemical Physics. 151: 134103. PMID 31594344 DOI: 10.1063/1.5119774 |
0.707 |
|
2019 |
Chen L, Gelin MF, Zhao Y, Domcke W. Mapping of Wave-Packet Dynamics at Conical Intersections by Time- and Frequency-Resolved Fluorescence Spectroscopy: A Computational Study. The Journal of Physical Chemistry Letters. PMID 31518141 DOI: 10.1021/Acs.Jpclett.9B02208 |
0.617 |
|
2019 |
Ehrmaier J, Rabe EJ, Pristash SR, Corp KL, Schlenker CW, Sobolewski AL, Domcke W. Singlet-Triplet Inversion in Heptazine and in Polymeric Carbon Nitrides. The Journal of Physical Chemistry. A. PMID 31466450 DOI: 10.1021/Acs.Jpca.9B06215 |
0.442 |
|
2019 |
Chen L, Gelin MF, Domcke W. Orientational relaxation of a quantum linear rotor in a dissipative environment: Simulations with the hierarchical equations-of-motion method. The Journal of Chemical Physics. 151: 034101. PMID 31325944 DOI: 10.1063/1.5105375 |
0.606 |
|
2019 |
Palacino-González E, Gelin MF, Domcke W. Analysis of transient-absorption pump-probe signals of nonadiabatic dissipative systems: "Ideal" and "real" spectra. The Journal of Chemical Physics. 150: 204102. PMID 31153218 DOI: 10.1063/1.5094485 |
0.592 |
|
2019 |
Gelin MF, Borrelli R, Domcke W. Origin of Unexpectedly Simple Oscillatory Responses in the Excited-State Dynamics of Disordered Molecular Aggregates. The Journal of Physical Chemistry Letters. 2806-2810. PMID 31070912 DOI: 10.1021/Acs.Jpclett.9B00840 |
0.605 |
|
2019 |
Xie W, Sapunar M, Došlić N, Sala M, Domcke W. Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine. The Journal of Chemical Physics. 150: 154119. PMID 31005116 DOI: 10.1063/1.5084961 |
0.442 |
|
2019 |
Ehrmaier J, Sobolewski AL, Domcke W. Role of the Pyridinyl Radical in the Light-Driven Reduction of Carbon Dioxide: A First-Principles Study. The Journal of Physical Chemistry. A. PMID 30958000 DOI: 10.1021/Acs.Jpca.9B01292 |
0.354 |
|
2019 |
Pang X, Jiang C, Xie W, Domcke W. Photoinduced electron-driven proton transfer from water to an N-heterocyclic chromophore: nonadiabatic dynamics studies for pyridine-water clusters. Physical Chemistry Chemical Physics : Pccp. PMID 30675882 DOI: 10.1039/C8Cp07015F |
0.387 |
|
2019 |
Chen L, Gelin MF, Domcke W. Multimode quantum dynamics with multiple Davydov D trial states: Application to a 24-dimensional conical intersection model. The Journal of Chemical Physics. 150: 024101. PMID 30646706 DOI: 10.1063/1.5066022 |
0.664 |
|
2019 |
Gelin MF, Palacino-González E, Chen L, Domcke W. Monitoring of Nonadiabatic Effects in Individual Chromophores by Femtosecond Double-Pump Single-Molecule Spectroscopy: A Model Study. Molecules (Basel, Switzerland). 24. PMID 30634541 DOI: 10.3390/Molecules24020231 |
0.685 |
|
2019 |
Rabe EJ, Corp KL, Huang X, Ehrmaier J, Flores RG, Estes SL, Sobolewski AL, Domcke W, Schlenker CW. Barrierless Heptazine-Driven Excited State Proton-Coupled Electron Transfer: Implications for Controlling Photochemistry of Carbon Nitrides and Aza-Arenes The Journal of Physical Chemistry C. 123: 29580-29588. DOI: 10.1021/Acs.Jpcc.9B08842 |
0.466 |
|
2018 |
Wu X, Ehrmaier J, Sobolewski AL, Karsili TNV, Domcke W. Mechanisms of photoreactivity in hydrogen-bonded adenine-HO complexes. Physical Chemistry Chemical Physics : Pccp. PMID 30543228 DOI: 10.1039/C8Cp05305G |
0.411 |
|
2018 |
Rabe EJ, Corp KL, Sobolewski AL, Domcke W, Schlenker CW. Proton-Coupled Electron Transfer from Water to a Model Heptazine-Based Molecular Photocatalyst. The Journal of Physical Chemistry Letters. PMID 30265537 DOI: 10.1021/Acs.Jpclett.8B02519 |
0.484 |
|
2018 |
Ehrmaier J, Domcke W, Opalka D. Mechanism of Photocatalytic Water Oxidation by Graphitic Carbon Nitride. The Journal of Physical Chemistry Letters. 4695-4699. PMID 30067374 DOI: 10.1021/Acs.Jpclett.8B02026 |
0.31 |
|
2018 |
Chen L, Gelin MF, Domcke W, Zhao Y. Simulation of Femtosecond Phase-Locked Double-Pump Signals of Individual Light Harvesting Complexes LH2. The Journal of Physical Chemistry Letters. PMID 30037231 DOI: 10.1021/Acs.Jpclett.8B01887 |
0.582 |
|
2018 |
Ehrmaier J, Janicki MJ, Sobolewski AL, Domcke W. Mechanism of photocatalytic water splitting with triazine-based carbon nitrides: insights from ab initio calculations for the triazine-water complex. Physical Chemistry Chemical Physics : Pccp. PMID 29781032 DOI: 10.1039/C8Cp01998C |
0.319 |
|
2018 |
Li X, Gurzadyan GG, Gelin MF, Domcke W, Gong C, Liu J, Sun L. Enhanced S2 Fluorescence from a Free-Base Tetraphenylporphyrin Surface-Mounted Metal Organic Framework Journal of Physical Chemistry C. 122: 23321-23328. DOI: 10.1021/Acs.Jpcc.8B06836 |
0.572 |
|
2018 |
Pang X, Ehrmaier J, Wu X, Jiang C, Xie W, Sobolewski AL, Domcke W. Photoinduced hydrogen-transfer reactions in pyridine-water clusters: Insights from excited-state electronic-structure calculations Chemical Physics. 515: 550-556. DOI: 10.1016/J.Chemphys.2018.09.004 |
0.372 |
|
2017 |
Chen L, Palacino-González E, Gelin MF, Domcke W. Nonperturbative response functions: A tool for the interpretation of four-wave-mixing signals beyond third order. The Journal of Chemical Physics. 147: 234104. PMID 29272918 DOI: 10.1063/1.5004763 |
0.605 |
|
2017 |
Palacino-González E, Gelin MF, Domcke W. Theoretical aspects of femtosecond double-pump single-molecule spectroscopy. II. Strong-field regime. Physical Chemistry Chemical Physics : Pccp. 19: 32307-32319. PMID 29199730 DOI: 10.1039/C7Cp04810F |
0.643 |
|
2017 |
Palacino-González E, Gelin MF, Domcke W. Theoretical aspects of femtosecond double-pump single-molecule spectroscopy. I. Weak-field regime. Physical Chemistry Chemical Physics : Pccp. 19: 32296-32306. PMID 29177286 DOI: 10.1039/c7cp04809b |
0.615 |
|
2017 |
Xie W, Domcke W. Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol. The Journal of Chemical Physics. 147: 184114. PMID 29141421 DOI: 10.1063/1.5006788 |
0.435 |
|
2017 |
Gelin MF, Borrelli R, Domcke W. Efficient orientational averaging of nonlinear optical signals in multi-chromophore systems. The Journal of Chemical Physics. 147: 044114. PMID 28764391 DOI: 10.1063/1.4996205 |
0.562 |
|
2017 |
Ehrmaier J, Karsili TNV, Sobolewski AL, Domcke W. Mechanism of Photocatalytic Water Splitting with Graphitic Carbon Nitride: Photochemistry of the Heptazine-Water Complex. The Journal of Physical Chemistry. A. PMID 28592110 DOI: 10.1021/Acs.Jpca.7B04594 |
0.326 |
|
2017 |
Ehrmaier J, Picconi D, Karsili TN, Domcke W. Photodissociation dynamics of the pyridinyl radical: Time-dependent quantum wave-packet calculations. The Journal of Chemical Physics. 146: 124304. PMID 28388140 DOI: 10.1063/1.4978283 |
0.783 |
|
2017 |
Rao BJ, Gelin MF, Domcke W. Resonant femtosecond stimulated Raman spectroscopy with an intense actinic pump pulse: Application to conical intersections. The Journal of Chemical Physics. 146: 084105. PMID 28249413 DOI: 10.1063/1.4976317 |
0.646 |
|
2017 |
Wu X, Karsili TN, Domcke W. Role of Electron-Driven Proton-Transfer Processes in the Ultrafast Deactivation of Photoexcited Anionic 8-oxoGuanine-Adenine and 8-oxoGuanine-Cytosine Base Pairs. Molecules (Basel, Switzerland). 22. PMID 28098833 DOI: 10.3390/Molecules22010135 |
0.75 |
|
2016 |
Orr-Ewing AJ, Kornilov O, Sølling TI, Keane T, Minitti MP, Wörner HJ, Schalk O, Roberts GM, Minns RS, Milne CJ, Miseikis L, Penfold TJ, Miller RJ, Domcke W, Centurion M, et al. Vibrational and condensed phase dynamics: general discussion. Faraday Discussions. PMID 27901160 DOI: 10.1039/C6Fd90073A |
0.323 |
|
2016 |
Orr-Ewing AJ, Verlet JR, Penfold TJ, Minns RS, Minitti MP, Sølling TI, Schalk O, Kowalewski M, Marangos JP, Robb MA, Johnson AS, Wörner HJ, Shalashilin DV, Miller RJ, Domcke W, et al. Electronic and non-adiabatic dynamics: general discussion. Faraday Discussions. PMID 27896343 DOI: 10.1039/C6Fd90070D |
0.607 |
|
2016 |
Chen L, Gelin MF, Chernyak VY, Domcke W, Zhao Y. Dissipative dynamics at conical intersections: simulations with the hierarchy equations of motion method. Faraday Discussions. PMID 27711851 DOI: 10.1039/C6Fd00088F |
0.657 |
|
2016 |
Tuna D, Sobolewski AL, Domcke W. Conical-Intersection Topographies Suggest That Ribose Exhibits Enhanced UV Photostability. The Journal of Physical Chemistry. B. PMID 27662411 DOI: 10.1021/Acs.Jpcb.6B09048 |
0.373 |
|
2016 |
Gelin MF, Domcke W. Alternative view of two-dimensional spectroscopy. The Journal of Chemical Physics. 144: 194104. PMID 27208933 DOI: 10.1063/1.4948790 |
0.592 |
|
2016 |
Gelin MF, Domcke W, Rao BJ. Femtosecond stimulated Raman spectroscopy as a tool to detect molecular vibrations in ground and excited electronic states. The Journal of Chemical Physics. 144: 184307. PMID 27179484 DOI: 10.1063/1.4948707 |
0.672 |
|
2016 |
Domcke W, Opalka D, Poluyanov LV. Relativistic theory of the Jahn-Teller effect: p-orbitals in tetrahedral and trigonal systems. The Journal of Chemical Physics. 144: 124101. PMID 27036421 DOI: 10.1063/1.4943863 |
0.4 |
|
2016 |
Tuna D, Udvarhelyi A, Sobolewski AL, Domcke W, Domratcheva T. Onset of the Electronic Absorption Spectra of Isolated and π-Stacked Oligomers of 5,6-Dihydroxyindole: An Ab Initio Study of the Building Blocks of Eumelanin. The Journal of Physical Chemistry. B. PMID 27005558 DOI: 10.1021/Acs.Jpcb.6B01793 |
0.374 |
|
2016 |
Marchetti B, Karsili TN, Ashfold MN, Domcke W. A 'bottom up', ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs. Physical Chemistry Chemical Physics : Pccp. PMID 26980149 DOI: 10.1039/C6Cp00165C |
0.82 |
|
2016 |
Xie W, Domcke W, Farantos SC, Grebenshchikov SY. State-specific tunneling lifetimes from classical trajectories: H-atom dissociation in electronically excited pyrrole. The Journal of Chemical Physics. 144: 104105. PMID 26979679 DOI: 10.1063/1.4943214 |
0.454 |
|
2016 |
Jayachander Rao B, Gelin MF, Domcke W. Resonant Femtosecond Stimulated Raman Spectra: Theory and Simulations. The Journal of Physical Chemistry. A. PMID 26910808 DOI: 10.1021/Acs.Jpca.5B12316 |
0.625 |
|
2016 |
Wu X, Karsili T, Domcke W. Excited-state deactivation of adenine by electron-driven proton transfer reactions in adenine-water clusters: a computational study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 26833826 DOI: 10.1002/Cphc.201501154 |
0.744 |
|
2016 |
Liu X, Karsili TNV, Sobolewski AL, Domcke W. Photocatalytic water splitting with acridine dyes: Guidelines from computational chemistry Chemical Physics. 464: 78-85. DOI: 10.1016/J.Chemphys.2015.11.007 |
0.398 |
|
2015 |
Tuna D, Domcke W. Excited-state deactivation in 8-oxo-deoxyguanosine: comparison between anionic and neutral forms. Physical Chemistry Chemical Physics : Pccp. PMID 26650478 DOI: 10.1039/C5Cp05804J |
0.399 |
|
2015 |
Bhattacharyya S, Dai Z, Domcke W. Quantum dynamics on a three-sheeted six-dimensional ab initio potential-energy surface of the phosphine cation: Simulation of the photoelectron spectrum and the ultrafast radiationless decay dynamics. The Journal of Chemical Physics. 143: 194301. PMID 26590531 DOI: 10.1063/1.4935601 |
0.531 |
|
2015 |
Karsili TN, Tuna D, Ehrmaier J, Domcke W. Photoinduced water splitting via benzoquinone and semiquinone sensitisation. Physical Chemistry Chemical Physics : Pccp. PMID 26488227 DOI: 10.1039/C5Cp03831F |
0.755 |
|
2015 |
Krčmář J, Gelin MF, Domcke W. Simulation of femtosecond two-dimensional electronic spectra of conical intersections. The Journal of Chemical Physics. 143: 074308. PMID 26298135 DOI: 10.1063/1.4928685 |
0.668 |
|
2015 |
Liu X, Karsili TN, Sobolewski AL, Domcke W. Photocatalytic Water Splitting with the Acridine Chromophore: a Computational Study. The Journal of Physical Chemistry. B. PMID 26215204 DOI: 10.1021/Acs.Jpcb.5B04833 |
0.777 |
|
2015 |
Chen L, Gelin MF, Domcke W, Zhao Y. Theory of femtosecond coherent double-pump single-molecule spectroscopy: Application to light harvesting complexes. The Journal of Chemical Physics. 142: 164106. PMID 25933751 DOI: 10.1063/1.4919240 |
0.678 |
|
2015 |
Belyaev AK, Domcke W, Lasser C, Trigila G. Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations. The Journal of Chemical Physics. 142: 104307. PMID 25770540 DOI: 10.1063/1.4913962 |
0.454 |
|
2015 |
Tuna D, Došlić N, Mališ M, Sobolewski AL, Domcke W. Mechanisms of photostability in kynurenines: a joint electronic-structure and dynamics study. The Journal of Physical Chemistry. B. 119: 2112-24. PMID 25054917 DOI: 10.1021/Jp501782V |
0.422 |
|
2015 |
Chen L, Gelin MF, Domcke W, Zhao Y. Theory of femtosecond coherent double-pump single-molecule spectroscopy: Application to light harvesting complexes Journal of Chemical Physics. 142. DOI: 10.1063/1.4919240 |
0.52 |
|
2015 |
Poluyanov LV, Volokhov V, Domcke W. Quasi-classical nonadiabatic transition probability for G3/2 × (t2 + e) Jahn-Teller systems Chemical Physics. 463: 1-4. DOI: 10.1016/J.Chemphys.2015.09.008 |
0.304 |
|
2015 |
Gelin MF, Blokhin AP, Tolkachev VA, Domcke W. Microscopic derivation of the Keilson-Storer master equation Chemical Physics. 462: 35-40. DOI: 10.1016/J.Chemphys.2015.07.036 |
0.526 |
|
2015 |
Bhattacharyya S, Opalka D, Domcke W. E×e Jahn-Teller effect in the P4+ cation and its signatures in the photoelectron spectrum of P4 Chemical Physics. DOI: 10.1016/J.Chemphys.2015.05.002 |
0.416 |
|
2014 |
Bhattacharyya S, Opalka D, Poluyanov LV, Domcke W. The (E + A) × (e + a) Jahn-Teller and pseudo-Jahn-Teller Hamiltonian including spin-orbit coupling for trigonal systems. The Journal of Physical Chemistry. A. 118: 11962-70. PMID 25207676 DOI: 10.1021/Jp506793Z |
0.354 |
|
2014 |
Karsili TN, Marchetti B, Ashfold MN, Domcke W. Ab initio study of potential ultrafast internal conversion routes in oxybenzone, caffeic acid, and ferulic acid: implications for sunscreens. The Journal of Physical Chemistry. A. 118: 11999-2010. PMID 25137024 DOI: 10.1021/Jp507282D |
0.796 |
|
2014 |
Liu X, Sobolewski AL, Domcke W. Photoinduced oxidation of water in the pyridine-water complex: comparison of the singlet and triplet photochemistries. The Journal of Physical Chemistry. A. 118: 7788-95. PMID 25135628 DOI: 10.1021/Jp505188Y |
0.396 |
|
2014 |
Mondal P, Domcke W. Infrared Absorption Spectra of Jahn-Teller Systems: Application to the Transition-Metal Trifluorides MnF3 and NiF3. The Journal of Physical Chemistry. A. PMID 24785833 DOI: 10.1021/Jp4118002 |
0.796 |
|
2014 |
Tuna D, Sobolewski AL, Domcke W. Photochemical mechanisms of radiationless deactivation processes in urocanic acid Journal of Physical Chemistry B. 118: 976-985. PMID 24397532 DOI: 10.1021/Jp411818J |
0.427 |
|
2014 |
Tuna D, Sobolewski AL, Domcke W. Mechanisms of ultrafast excited-state deactivation in adenosine Journal of Physical Chemistry A. 118: 122-127. PMID 24320624 DOI: 10.1021/Jp410121H |
0.407 |
|
2014 |
Tuna D, Sobolewski AL, Domcke W. Electronically excited states and photochemical reaction mechanisms of β-glucose Physical Chemistry Chemical Physics. 16: 38-47. PMID 23959595 DOI: 10.1039/C3Cp52359D |
0.407 |
|
2014 |
Kr?má? J, Gelin MF, Egorova D, Domcke W. Signatures of conical intersections in two-dimensional electronic spectra Journal of Physics B: Atomic, Molecular and Optical Physics. 47. DOI: 10.1088/0953-4075/47/12/124019 |
0.668 |
|
2014 |
Mondal P, Domcke W. Infrared absorption spectra of jahn-teller systems: Application to the transition-metal trifluorides MnF3 and NiF3 Journal of Physical Chemistry A. 118: 3726-3734. DOI: 10.1021/jp4118002 |
0.697 |
|
2013 |
Gelin MF, Rao BJ, Nest M, Domcke W. Domain of validity of the perturbative approach to femtosecond optical spectroscopy. The Journal of Chemical Physics. 139: 224107. PMID 24329056 DOI: 10.1063/1.4836636 |
0.616 |
|
2013 |
Gelin MF, Tanimura Y, Domcke W. Simulation of femtosecond "double-slit" experiments for a chromophore in a dissipative environment. The Journal of Chemical Physics. 139: 214302. PMID 24320375 DOI: 10.1063/1.4832876 |
0.677 |
|
2013 |
Gelin MF, Domcke W. Simple recipes for separating excited-state absorption and cascading signals by polarization-sensitive measurements. The Journal of Physical Chemistry. A. 117: 11509-13. PMID 24144338 DOI: 10.1021/Jp409436Z |
0.608 |
|
2013 |
Ramesh SG, Domcke W. A multi-sheeted three-dimensional potential-energy surface for the H-atom photodissociation of phenol. Faraday Discussions. 163: 73-94; discussion 11. PMID 24020197 DOI: 10.1039/C3Fd00006K |
0.314 |
|
2013 |
Opalka D, Domcke W. Interpolation of multi-sheeted multi-dimensional potential-energy surfaces via a linear optimization procedure. The Journal of Chemical Physics. 138: 224103. PMID 23781779 DOI: 10.1063/1.4808358 |
0.349 |
|
2013 |
Gelin MF, Egorova D, Domcke W. Strong-pump strong-probe spectroscopy: effects of higher excited electronic states. Physical Chemistry Chemical Physics : Pccp. 15: 8119-31. PMID 23588665 DOI: 10.1039/C3Cp44454F |
0.682 |
|
2013 |
Domcke W, Sobolewski AL. Peptide deactivation: Spectroscopy meets theory Nature Chemistry. 5: 257-258. PMID 23511411 DOI: 10.1038/Nchem.1601 |
0.322 |
|
2013 |
Liu X, Sobolewski AL, Borrelli R, Domcke W. Computational investigation of the photoinduced homolytic dissociation of water in the pyridine-water complex. Physical Chemistry Chemical Physics : Pccp. 15: 5957-66. PMID 23493911 DOI: 10.1039/C3Cp44585B |
0.424 |
|
2013 |
Gelin MF, Belyaev AK, Domcke W. Pump-probe spectroscopy with strong pulses as a tool to enhance weak electronic transitions Physical Review a - Atomic, Molecular, and Optical Physics. 87. DOI: 10.1103/Physreva.87.063416 |
0.618 |
|
2013 |
Sellner B, Barbatti M, Müller T, Domcke W, Lischka H. Ultrafast non-adiabatic dynamics of ethylene including Rydberg states Molecular Physics. 111: 2439-2450. DOI: 10.1080/00268976.2013.813590 |
0.43 |
|
2013 |
Gelin MF, Rao BJ, Nest M, Domcke W. Domain of validity of the perturbative approach to femtosecond optical spectroscopy Journal of Chemical Physics. 139. DOI: 10.1063/1.4836636 |
0.476 |
|
2013 |
Gelin MF, Egorova D, Domcke W. Strong-pump strong-probe spectroscopy: Effects of higher excited electronic states Physical Chemistry Chemical Physics. 15: 8119-8131. DOI: 10.1039/c3cp44454f |
0.643 |
|
2013 |
Szabla R, Tuna D, Góra RW, Šponer J, Sobolewski AL, Domcke W. Photochemistry of 2-Aminooxazole, a Hypothetical Prebiotic Precursor of RNA Nucleotides Journal of Physical Chemistry Letters. 4: 2785-2788. DOI: 10.1021/Jz401315E |
0.358 |
|
2013 |
Gelin MF, Domcke W. Simple recipes for separating excited-state absorption and cascading signals by polarization-sensitive measurements Journal of Physical Chemistry A. 117: 11509-11513. DOI: 10.1021/jp409436z |
0.555 |
|
2013 |
Delchev VB, Domcke W. Ab initio study of the cyclodimerization of uracil through butane-like and oxetane-like conical intersections Journal of Photochemistry and Photobiology a: Chemistry. 271: 1-7. DOI: 10.1016/J.Jphotochem.2013.07.015 |
0.402 |
|
2013 |
Kr?má? J, Gelin MF, Domcke W. Calculation of third-order signals via driven Schrödinger equations: General results and application to electronic 2D photon echo spectroscopy Chemical Physics. 422: 53-62. DOI: 10.1016/J.Chemphys.2013.01.002 |
0.697 |
|
2012 |
Poluyanov LV, Domcke W. Jahn-Teller, pseudo-Jahn-Teller, and spin-orbit coupling Hamiltonian of a d electron in an octahedral environment. The Journal of Chemical Physics. 137: 114101. PMID 22998243 DOI: 10.1063/1.4751439 |
0.413 |
|
2012 |
Sobolewski AL, Domcke W. Photoinduced water splitting with oxotitanium porphyrin: A computational study Physical Chemistry Chemical Physics. 14: 12807-12817. PMID 22880202 DOI: 10.1039/C2Cp41214D |
0.368 |
|
2012 |
Venkatesan TS, Ramesh SG, Lan Z, Domcke W. Theoretical analysis of photoinduced H-atom elimination in thiophenol. The Journal of Chemical Physics. 136: 174312. PMID 22583235 DOI: 10.1063/1.4709608 |
0.668 |
|
2012 |
Domcke W, Yarkony DR. Role of conical intersections in molecular spectroscopy and photoinduced chemical dynamics. Annual Review of Physical Chemistry. 63: 325-52. PMID 22475338 DOI: 10.1146/Annurev-Physchem-032210-103522 |
0.364 |
|
2012 |
Mondal P, Opalka D, Poluyanov LV, Domcke W. Ab initio study of dynamical E × e Jahn-Teller and spin-orbit coupling effects in the transition-metal trifluorides TiF3, CrF3, and NiF3. The Journal of Chemical Physics. 136: 084308. PMID 22380043 DOI: 10.1063/1.3687001 |
0.79 |
|
2012 |
Gelin MF, Sharp LZ, Egorova D, Domcke W. Bath-induced correlations and relaxation of vibronic dimers. The Journal of Chemical Physics. 136: 034507. PMID 22280767 DOI: 10.1063/1.3676063 |
0.62 |
|
2012 |
Abel B, Buck U, Sobolewski AL, Domcke W. On the nature and signatures of the solvated electron in water Physical Chemistry Chemical Physics. 14: 22-34. PMID 22075842 DOI: 10.1039/C1Cp21803D |
0.369 |
|
2012 |
Bondarev IV, Gelin MF, Domcke W. Plasmon nanooptics with individual single wall carbon nanotubes Journal of Physics: Conference Series. 393. DOI: 10.1088/1742-6596/393/1/012024 |
0.441 |
|
2012 |
Borrelli R, Thoss M, Wang H, Domcke W. Quantum dynamics of electron-transfer reactions: Photoinduced intermolecular electron transfer in a porphyrin-quinone complex Molecular Physics. 110: 751-763. DOI: 10.1080/00268976.2012.676211 |
0.655 |
|
2012 |
Mondal P, Opalka D, Poluyanov LV, Domcke W. Ab initio study of dynamical E × e Jahn-Teller and spin-orbit coupling effects in the transition-metal trifluorides TiF 3, CrF 3, and NiF 3 Journal of Chemical Physics. 136. DOI: 10.1063/1.3687001 |
0.711 |
|
2012 |
Gelin MF, Sharp LZ, Egorova D, Domcke W. Bath-induced correlations and relaxation of vibronic dimers Journal of Chemical Physics. 136. DOI: 10.1063/1.3676063 |
0.506 |
|
2012 |
Poluyanov LV, Domcke W. Relativistic Jahn-Teller and pseudo-Jahn-Teller couplings in D 2d systems Chemical Physics. 407: 1-8. DOI: 10.1016/J.Chemphys.2012.07.014 |
0.312 |
|
2012 |
Sobolewski AL, Domcke W. ChemInform Abstract: Efficient Excited-State Deactivation in Organic Chromophores and Biologically Relevant Molecules: Role of Electron and Proton Transfer Processes Cheminform. 43: no-no. DOI: 10.1002/chin.201219280 |
0.318 |
|
2011 |
Gelin MF, Egorova D, Domcke W. Strong and Long Makes Short: Strong-Pump Strong-Probe Spectroscopy. The Journal of Physical Chemistry Letters. 2: 114-9. PMID 26295529 DOI: 10.1021/Jz1015247 |
0.604 |
|
2011 |
Gelin MF, Egorova D, Domcke W. Exact quantum master equation for a molecular aggregate coupled to a harmonic bath. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 84: 041139. PMID 22181119 DOI: 10.1103/Physreve.84.041139 |
0.6 |
|
2011 |
Opalka D, Poluyanov LV, Domcke W. Relativistic Jahn-Teller effects in the photoelectron spectra of tetrahedral P4, As4, Sb4, and Bi4. The Journal of Chemical Physics. 135: 104108. PMID 21932877 DOI: 10.1063/1.3629779 |
0.475 |
|
2011 |
Shemesh D, Domcke W. Effect of the chirality of residues and γ-turns on the electronic excitation spectra, excited-state reaction paths and conical intersections of capped phenylalanine-alanine dipeptides Chemphyschem. 12: 1833-1840. PMID 21488142 DOI: 10.1002/Cphc.201100039 |
0.774 |
|
2011 |
Gelin MF, Egorova D, Domcke W. Optical N-wave-mixing spectroscopy with strong and temporally well-separated pulses: the doorway-window representation. The Journal of Physical Chemistry. B. 115: 5648-58. PMID 21425818 DOI: 10.1021/Jp112055H |
0.596 |
|
2011 |
Yamazaki S, Sobolewski AL, Domcke W. Molecular mechanisms of the photostability of indigo. Physical Chemistry Chemical Physics : Pccp. 13: 1618-28. PMID 21152507 DOI: 10.1039/C0Cp01901A |
0.427 |
|
2011 |
Gelin MF, Egorova D, Domcke W. Exact quantum master equation for a molecular aggregate coupled to a harmonic bath Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 84. DOI: 10.1103/PhysRevE.84.041139 |
0.508 |
|
2011 |
Gelin MF, Egorova D, Domcke W. Strong and long makes short: Strong-pump strong-probe spectroscopy Journal of Physical Chemistry Letters. 2: 114-119. DOI: 10.1021/jz1015247 |
0.518 |
|
2011 |
Gelin MF, Egorova D, Domcke W. Optical N-wave-mixing spectroscopy with strong and temporally well-separated pulses: The doorway-window representation Journal of Physical Chemistry B. 115: 5648-5658. DOI: 10.1021/jp112055h |
0.496 |
|
2011 |
Mondal P, Opalka D, Poluyanov LV, Domcke W. Jahn-Teller and spin-orbit coupling effects in transition-metal trifluorides Chemical Physics. 387: 56-65. DOI: 10.1016/J.Chemphys.2011.06.034 |
0.773 |
|
2011 |
Gelin MF, Domcke W, Egorova D. Efficient Methods for Computation of Ultrafast Time- and Frequency-Resolved Spectroscopic Signals Computational Strategies For Spectroscopy: From Small Molecules to Nano Systems. 445-473. DOI: 10.1002/9781118008720.ch9 |
0.49 |
|
2011 |
Gelin MF, Egorova D, Domcke W. Beyond third-order response: Strong-pulse and N-wave-mixing optical spectroscopies Optics Infobase Conference Papers. |
0.496 |
|
2010 |
Shemesh D, Sobolewski AL, Domcke W. Role of excited-state hydrogen detachment and hydrogen-transfer processes for the excited-state deactivation of an aromatic dipeptide: N-acetyl tryptophan methyl amide Physical Chemistry Chemical Physics. 12: 4899-4905. PMID 20445897 DOI: 10.1039/B927024H |
0.782 |
|
2010 |
Opalka D, Domcke W. High-order expansion of T(2)xt(2) Jahn-Teller potential-energy surfaces in tetrahedral molecules. The Journal of Chemical Physics. 132: 154108. PMID 20423169 DOI: 10.1063/1.3382912 |
0.369 |
|
2010 |
Delchev VB, Sobolewski AL, Domcke W. Comparison of the non-radiative decay mechanisms of 4-pyrimidinone and uracil: An ab initio study Physical Chemistry Chemical Physics. 12: 5007-5015. PMID 20407677 DOI: 10.1039/B922505F |
0.413 |
|
2010 |
Sharp LZ, Egorova D, Domcke W. Efficient and accurate simulations of two-dimensional electronic photon-echo signals: Illustration for a simple model of the Fenna-Matthews-Olson complex. The Journal of Chemical Physics. 132: 014501. PMID 20078166 DOI: 10.1063/1.3268705 |
0.38 |
|
2010 |
Opalka D, Segado M, Poluyanov LV, Domcke W. Relativistic Jahn-Teller effect in tetrahedral systems Physical Review a - Atomic, Molecular, and Optical Physics. 81. DOI: 10.1103/Physreva.81.042501 |
0.418 |
|
2010 |
Marazzi M, Sancho U, Castaño O, Domcke W, Frutos LM. Photoinduced proton transfer as a possible mechanism for highly efficient excited-state deactivation in proteins Journal of Physical Chemistry Letters. 1: 425-428. DOI: 10.1021/Jz900262W |
0.383 |
|
2010 |
Borrelli R, Domcke W. First-principles study of photoinduced electron-transfer dynamics in a Mg-porphyrin-quinone complex Chemical Physics Letters. 498: 230-234. DOI: 10.1016/J.Cplett.2010.08.072 |
0.432 |
|
2010 |
Opalka D, Domcke W. High-order expansion of T2× e Jahn-Teller potential-energy surfaces in tetrahedral systems Chemical Physics Letters. 494: 134-138. DOI: 10.1016/J.Cplett.2010.06.011 |
0.347 |
|
2010 |
Poluyanov LV, Domcke W. Relativistic T×T and T×E Jahn-Teller coupling in tetrahedral systems Chemical Physics. 374: 86-93. DOI: 10.1016/J.Chemphys.2010.06.025 |
0.379 |
|
2009 |
Gelin MF, Egorova D, Domcke W. Efficient calculation of the polarization induced by N coherent laser pulses. The Journal of Chemical Physics. 131: 194103. PMID 19929042 DOI: 10.1063/1.3265213 |
0.564 |
|
2009 |
Yamazaki S, Sobolewski AL, Domcke W. Photophysics of xanthine: Computational study of the radiationless decay mechanisms Physical Chemistry Chemical Physics. 11: 10165-10174. PMID 19865773 DOI: 10.1039/B913131K |
0.365 |
|
2009 |
Gelin MF, Egorova D, Domcke W. Manipulating electronic couplings and nonadiabatic nuclear dynamics with strong laser pulses. The Journal of Chemical Physics. 131: 124505. PMID 19791892 DOI: 10.1063/1.3236577 |
0.642 |
|
2009 |
Gelin MF, Egorova D, Domcke W. Efficient calculation of time- and frequency-resolved four-wave-mixing signals. Accounts of Chemical Research. 42: 1290-8. PMID 19449854 DOI: 10.1021/Ar900045D |
0.624 |
|
2009 |
Carrera A, Nielsen IB, Carçabal P, Dedonder C, Broquier M, Jouvet C, Domcke W, Sobolewski AL. Biradicalic excited states of zwitterionic phenol-ammonia clusters. The Journal of Chemical Physics. 130: 024302. PMID 19154023 DOI: 10.1063/1.3054292 |
0.446 |
|
2009 |
Shemesh D, Sobolewski AL, Domcke W. Efficient excited-state deactivation of the gly-phe-ala tripeptide via an electron-driven proton-transfer process Journal of the American Chemical Society. 131: 1374-1375. PMID 19140760 DOI: 10.1021/Ja808485B |
0.782 |
|
2009 |
Sobolewski AL, Shemesh D, Domcke W. Computational studies of the photophysics of neutral and zwitterionic amino acids in an aqueous environment: Tyrosine-(H2O)2 and tryptophan-(H2O)2 clusters Journal of Physical Chemistry A. 113: 542-550. PMID 19099467 DOI: 10.1021/Jp8091754 |
0.723 |
|
2009 |
Belyaev AK, Tiukanov AS, Domcke W. Generalized diatomics-in-molecule method for polyatomics Physica Scripta. 80. DOI: 10.1088/0031-8949/80/04/048124 |
0.457 |
|
2009 |
Gelin MF, Egorova D, Domcke W. Efficient calculation of the polarization induced by N coherent laser pulses Journal of Chemical Physics. 131. DOI: 10.1063/1.3265213 |
0.506 |
|
2009 |
Gelin MF, Egorova D, Domcke W. Manipulating electronic couplings and nonadiabatic nuclear dynamics with strong laser pulses Journal of Chemical Physics. 131. DOI: 10.1063/1.3236577 |
0.57 |
|
2009 |
Sobolewski AL, Domcke W. Ab initio study of the energetics of photoinduced electron and proton transfer processes in a bio-inspired model of photochemical water splitting Chemical Physics Letters. 479: 144-148. DOI: 10.1016/J.Cplett.2009.07.098 |
0.385 |
|
2009 |
Shemesh D, Hättig C, Domcke W. Photophysics of the Trp-Gly dipeptide: Role of electron and proton transfer processes for efficient excited-state deactivation Chemical Physics Letters. 482: 38-43. DOI: 10.1007/978-3-642-13872-0_53 |
0.778 |
|
2009 |
Cederbaum LS, Köppel H, Domcke W. Multimode vibronic coupling effects in molecules International Journal of Quantum Chemistry. 20: 251-267. DOI: 10.1002/Qua.560200828 |
0.635 |
|
2008 |
Vieuxmaire OPJ, Lan Z, Sobolewski AL, Domcke W. Ab initio characterization of the conical intersections involved in the photochemistry of phenol Journal of Chemical Physics. 129. PMID 19071916 DOI: 10.1063/1.3028049 |
0.578 |
|
2008 |
Poluyanov LV, Domcke W. Relativistic E x T Jahn-Teller effect in tetrahedral systems. The Journal of Chemical Physics. 129: 224102. PMID 19071902 DOI: 10.1063/1.3035189 |
0.413 |
|
2008 |
Egorova D, Gelin MF, Thoss M, Wang H, Domcke W. Effects of intense femtosecond pumping on ultrafast electronic-vibrational dynamics in molecular systems with relaxation. The Journal of Chemical Physics. 129: 214303. PMID 19063557 DOI: 10.1063/1.3026509 |
0.767 |
|
2008 |
Yamazaki S, Domcke W, Sobolewski AL. Nonradiative decay mechanisms of the biologically relevant tautomer of guanine Journal of Physical Chemistry A. 112: 11965-11968. PMID 18959396 DOI: 10.1021/Jp806622M |
0.427 |
|
2008 |
Lan Z, Frutos LM, Sobolewski AL, Domcke W. Photochemistry of hydrogen-bonded aromatic pairs: Quantum dynamical calculations for the pyrrole-pyridine complex Proceedings of the National Academy of Sciences of the United States of America. 105: 12707-12712. PMID 18663223 DOI: 10.1073/Pnas.0801062105 |
0.633 |
|
2008 |
Sobolewski AL, Domcke W. Computational model of photocatalytic water splitting. The Journal of Physical Chemistry. A. 112: 7311-3. PMID 18642889 DOI: 10.1021/Jp803814X |
0.381 |
|
2008 |
Yamazaki S, Domcke W. Ab initio studies on the photophysics of guanine tautomers: out-of-plane deformation and NH dissociation pathways to conical intersections. The Journal of Physical Chemistry. A. 112: 7090-7. PMID 18613658 DOI: 10.1021/Jp802759V |
0.403 |
|
2008 |
Sioutis I, Mishra S, Poluyanov LV, Domcke W. Renner-Teller and spin-orbit vibronic coupling effects in linear triatomic molecules with a half-filled pi shell. The Journal of Chemical Physics. 128: 124318. PMID 18376930 DOI: 10.1063/1.2840356 |
0.679 |
|
2008 |
Egorova D, Gelin MF, Thoss M, Wang H, Domcke W. Effects of intense femtosecond pumping on ultrafast electronic-vibrational dynamics in molecular systems with relaxation Journal of Chemical Physics. 129. DOI: 10.1063/1.3026509 |
0.723 |
|
2008 |
Sioutis I, Mishra S, Poluyanov LV, Domcke W. Renner-Teller and spin-orbit vibronic coupling effects in linear triatomic molecules with a half-filled π shell Journal of Chemical Physics. 128. DOI: 10.1063/1.2840356 |
0.636 |
|
2008 |
Benesch C, ?ížek M, Klimeš J, Kondov I, Thoss M, Domcke W. Vibronic effects in single molecule conductance: First-principles description and application to benzenealkanethiolates between gold electrodes Journal of Physical Chemistry C. 112: 9880-9890. DOI: 10.1021/Jp711940N |
0.622 |
|
2008 |
Sobolewski AL, Domcke W. Computational studies of the photophysics of neutral and zwitterionic glycine in an aqueous environment: The glycine-(H2O)2 cluster Chemical Physics Letters. 457: 404-407. DOI: 10.1016/J.Cplett.2008.04.017 |
0.348 |
|
2008 |
Poluyanov LV, Domcke W. The 3E × E, 4E × E and 5E × E Jahn-Teller Hamiltonians of trigonal systems Chemical Physics. 352: 125-134. DOI: 10.1016/J.Chemphys.2008.05.020 |
0.36 |
|
2008 |
Lan Z, Domcke W. Role of vibrational energy relaxation in the photoinduced nonadiabatic dynamics of pyrrole at the 1 π σ* s(-) S0 conical intersection Chemical Physics. 350: 125-138. DOI: 10.1016/J.Chemphys.2008.01.049 |
0.628 |
|
2007 |
Sobolewski AL, Domcke W. Computational studies of the photophysics of hydrogen-bonded molecular systems Journal of Physical Chemistry A. 111: 11725-11735. PMID 17941621 DOI: 10.1021/Jp075803O |
0.376 |
|
2007 |
Sobolewski AL, Domcke W. Computational studies of aqueous-phase photochemistry and the hydrated electron in finite-size clusters Physical Chemistry Chemical Physics. 9: 3818-3829. PMID 17637974 DOI: 10.1039/B704066K |
0.43 |
|
2007 |
Frutos LM, Markmann A, Sobolewski AL, Domcke W. Photoinduced electron and proton transfer in the hydrogen-bonded pyridine-pyrrole system. The Journal of Physical Chemistry. B. 111: 6110-2. PMID 17503807 DOI: 10.1021/Jp0729361 |
0.34 |
|
2007 |
Credo Chung W, Lan Z, Ohtsuki Y, Shimakura N, Domcke W, Fujimura Y. Conical intersections involving the dissociative 1πσ* state in 9H-adenine: A quantum chemical ab initio study Physical Chemistry Chemical Physics. 9: 2075-2084. PMID 17464388 DOI: 10.1039/B618745E |
0.655 |
|
2007 |
Mishra S, Poluyanov LV, Domcke W. Spin-orbit vibronic coupling in 3Pi states of linear triatomic molecules. The Journal of Chemical Physics. 126: 134312. PMID 17430037 DOI: 10.1063/1.2713382 |
0.705 |
|
2007 |
Egorova D, Gelin MF, Domcke W. Analysis of cross peaks in two-dimensional electronic photon-echo spectroscopy for simple models with vibrations and dissipation. The Journal of Chemical Physics. 126: 074314. PMID 17328612 DOI: 10.1063/1.2435353 |
0.668 |
|
2007 |
Sobolewski AL, Domcke W. Photophysics of eumelanin: Ab initio studies on the electronic spectroscopy and photochemistry of 5,6-dihydroxyindole Chemphyschem. 8: 756-762. PMID 17279594 DOI: 10.1002/Cphc.200600768 |
0.452 |
|
2007 |
Poluyanov LV, Mishra S, Domcke W. Quasiclassical theory of the dynamical E × E Jahn-Teller effect including spin-orbit interaction Molecular Physics. 105: 1471-1485. DOI: 10.1080/00268970601150536 |
0.672 |
|
2007 |
Mishra S, Poluyanov LV, Domcke W. Spin-orbit vibronic coupling in 3Π states of linear triatomic molecules Journal of Chemical Physics. 126. DOI: 10.1063/1.2713382 |
0.653 |
|
2007 |
Egorova D, Gelin MF, Domcke W. Analysis of cross peaks in two-dimensional electronic photon-echo spectroscopy for simple models with vibrations and dissipation Journal of Chemical Physics. 126. DOI: 10.1063/1.2435353 |
0.596 |
|
2007 |
Lan Z, Dupays A, Vallet V, Mahapatra S, Domcke W. Photoinduced multi-mode quantum dynamics of pyrrole at the 1π σ*- S0 conical intersections Journal of Photochemistry and Photobiology a: Chemistry. 190: 177-189. DOI: 10.1016/J.Jphotochem.2007.01.018 |
0.633 |
|
2007 |
Mishra S, Domcke W, Poluyanov LV. A study of spin-orbit vibronic-coupling effects in the over(A, ∼) 3 Π state of CCX (X = O, S, Se) and CNY (Y = N, P, As) Chemical Physics Letters. 446: 256-261. DOI: 10.1016/J.Cplett.2007.08.065 |
0.728 |
|
2007 |
Egorova D, Gelin MF, Domcke W. Analysis of vibrational coherences in homodyne and two-dimensional heterodyne photon-echo spectra of Nile Blue Chemical Physics. 341: 113-122. DOI: 10.1016/J.Chemphys.2007.07.010 |
0.617 |
|
2007 |
Poluyanov LV, Mishra S, Domcke W. Quasistationary upper-well states of E × E Jahn-Teller systems with spin-orbit coupling Chemical Physics. 332: 243-248. DOI: 10.1016/J.Chemphys.2006.12.003 |
0.665 |
|
2007 |
Cederbaum LS, Domcke W, Schirmer J, Niessen WV. Correlation Effects in the Ionization of Molecules: Breakdown of the Molecular Orbital Picture Advances in Chemical Physics. 65: 115-159. DOI: 10.1002/9780470142899.Ch3 |
0.312 |
|
2006 |
Perun S, Sobolewski AL, Domcke W. Conical intersections in thymine Journal of Physical Chemistry A. 110: 13238-13244. PMID 17149840 DOI: 10.1021/Jp0633897 |
0.458 |
|
2006 |
Mishra S, Vallet V, Poluyanov LV, Domcke W. Calculation of the vibronic structure of the photodetachment spectra of CCCl- and CCBr-. The Journal of Chemical Physics. 125: 164327. PMID 17092093 DOI: 10.1063/1.2363193 |
0.71 |
|
2006 |
Sobolewski AL, Domcke W. Photophysics of intramolecularly hydrogen-bonded aromatic systems: ab initio exploration of the excited-state deactivation mechanisms of salicylic acid. Physical Chemistry Chemical Physics : Pccp. 8: 3410-7. PMID 16855719 DOI: 10.1039/B604610J |
0.378 |
|
2006 |
Perun S, Sobolewski AL, Domcke W. Role of electron-driven proton-transfer processes in the excited-state deactivation of the adenine-thymine base pair Journal of Physical Chemistry A. 110: 9031-9038. PMID 16854013 DOI: 10.1021/Jp061945R |
0.458 |
|
2006 |
Abe M, Ohtsuki Y, Fujimura Y, Lan Z, Domcke W. Geometric phase effects in the coherent control of the branching ratio of photodissociation products of phenol. The Journal of Chemical Physics. 124: 224316. PMID 16784283 DOI: 10.1063/1.2203611 |
0.534 |
|
2006 |
Viel A, Eisfeld W, Neumann S, Domcke W, Manthe U. Photoionization-induced dynamics of ammonia: ab initio potential energy surfaces and time-dependent wave packet calculations for the ammonia cation. The Journal of Chemical Physics. 124: 214306. PMID 16774406 DOI: 10.1063/1.2202316 |
0.487 |
|
2006 |
Sobolewski AL, Domcke W, Hättig C. Photophysics of organic photostabilizers. Ab initio study of the excited-state deactivation mechanisms of 2-(2'-hydroxyphenyl)benzotriazole. The Journal of Physical Chemistry. A. 110: 6301-6. PMID 16686466 DOI: 10.1021/Jp0574798 |
0.397 |
|
2006 |
Neumann S, Eisfeld W, Sobolewski AL, Domcke W. Resonance Raman spectrum of the solvated electron in methanol: simulation within a cluster model. The Journal of Physical Chemistry. A. 110: 5613-9. PMID 16640354 DOI: 10.1021/Jp0574549 |
0.339 |
|
2006 |
Mishra S, Vallet V, Domcke W. Importance of spin-orbit coupling for the assignment of the photodetachment spectra of AuX2- (X=Cl, Br, and I). Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 723-7. PMID 16514700 DOI: 10.1002/Cphc.200500554 |
0.707 |
|
2006 |
Sobolewski AL, Domcke W. Relevance of electron-driven proton-transfer processes for the photostability of proteins. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 561-4. PMID 16493701 DOI: 10.1002/Cphc.200500604 |
0.328 |
|
2006 |
Mishra S, Vallet V, Poluyanov LV, Domcke W. Calculation of the vibronic structure of the X2Pi photoelectron spectra of XCN, X=F, Cl, and Br. The Journal of Chemical Physics. 124: 044317. PMID 16460172 DOI: 10.1063/1.2161186 |
0.728 |
|
2006 |
Horáček J, Cízek M, Houfek K, Kolorenč P, Domcke W. Dissociative electron attachment and vibrational excitation of H2 by low-energy electrons: Calculations based on an improved nonlocal resonance model. II. Vibrational excitation Physical Review a - Atomic, Molecular, and Optical Physics. 73. DOI: 10.1103/Physreva.73.022701 |
0.461 |
|
2006 |
Perun S, Sobolewski AL, Domcke W. Ab initio studies of the photophysics of 2-aminopurine Molecular Physics. 104: 1113-1121. DOI: 10.1080/00268970500417341 |
0.419 |
|
2006 |
Mishra S, Vallet V, Poluyanov LV, Domcke W. Calculation of the vibronic structure of the photodetachment spectra of CCCl̄ and CCBr̄ Journal of Chemical Physics. 125. DOI: 10.1063/1.2363193 |
0.634 |
|
2006 |
Benesch C, ?ížek M, Thoss M, Domcke W. Vibronic effects on resonant electron conduction through single molecule junctions Chemical Physics Letters. 430: 355-360. DOI: 10.1016/J.Cplett.2006.09.003 |
0.656 |
|
2006 |
Motzke A, Lan Z, Woywod C, Domcke W. Simulation of the photodetachment spectrum of the pyrrolide anion Chemical Physics. 329: 50-64. DOI: 10.1016/J.Chemphys.2006.07.048 |
0.615 |
|
2006 |
Mishra S, Domcke W, Poluyanov LV. Study of strong Σ-Π and spin-orbit vibronic coupling effects in linear triatomic molecules Chemical Physics. 327: 457-467. DOI: 10.1016/J.Chemphys.2006.05.023 |
0.726 |
|
2006 |
Belyaev AK, Tiukanov AS, Domcke W. Generalized diatomics-in-molecule method applied to the H3 - anion Chemical Physics. 325: 378-388. DOI: 10.1016/J.Chemphys.2006.01.030 |
0.418 |
|
2006 |
Domcke W, Mishra S, Poluyanov LV. The relativistic E x E Jahn-Teller effect revisited Chemical Physics. 322: 405-410. DOI: 10.1016/J.Chemphys.2005.09.009 |
0.704 |
|
2006 |
Poluyanov LV, Domcke W. Two-channel semiclassical S-matrix for the E x E Jahn-Teller problem including spin-orbit coupling Chemical Physics. 322: 349-353. DOI: 10.1016/J.Chemphys.2005.09.005 |
0.355 |
|
2006 |
Köppel H, Cederbaum LS, Domcke W, Shaik SS. Symmetriebrechung und Nicht-Born-Oppenheimer-Effekte in Radikalkationen Angewandte Chemie. 95: 221-236. DOI: 10.1002/Ange.19830950306 |
0.471 |
|
2005 |
Sobolewski AL, Domcke W. Photochemistry of Mcl(H2O)4, M = H, Li, Na clusters: finite-size models of the photodetachment of the chloride anion in salt solutions. Physical Chemistry Chemical Physics : Pccp. 7: 970-4. PMID 19791387 DOI: 10.1039/B416353B |
0.433 |
|
2005 |
Gelin MF, Egorova D, Pisliakov AV, Domcke W. Transient phenomena in time- and frequency-gated spontaneous emission. The Journal of Physical Chemistry. A. 109: 3587-97. PMID 16839025 DOI: 10.1021/Jp044463T |
0.627 |
|
2005 |
Mahapatra S, Vallet V, Woywod C, Köppel H, Domcke W. Remarkable impact of intermode couplings on multimode vibronic dynamics: the photoelectron spectrum of CH3F. The Journal of Chemical Physics. 123: 231103. PMID 16392905 DOI: 10.1063/1.2140739 |
0.652 |
|
2005 |
Mishra S, Vallet V, Poluyanov LV, Domcke W. Spectroscopic effects of first-order relativistic vibronic coupling in linear triatomic molecules. The Journal of Chemical Physics. 123: 124104. PMID 16392472 DOI: 10.1063/1.2018702 |
0.723 |
|
2005 |
Sobolewski AL, Domcke W, Hättig C. Tautomeric selectivity of the excited-state lifetime of guanine/cytosine base pairs: the role of electron-driven proton-transfer processes. Proceedings of the National Academy of Sciences of the United States of America. 102: 17903-6. PMID 16330778 DOI: 10.1073/Pnas.0504087102 |
0.486 |
|
2005 |
Gelin MF, Egorova D, Domcke W. Efficient method for the calculation of time- and frequency-resolved four-wave mixing signals and its application to photon-echo spectroscopy. The Journal of Chemical Physics. 123: 164112. PMID 16268686 DOI: 10.1063/1.2062188 |
0.59 |
|
2005 |
Abe M, Ohtsuki Y, Fujimura Y, Domcke W. Optimal control of ultrafast cis-trans photoisomerization of retinal in rhodopsin via a conical intersection. The Journal of Chemical Physics. 123: 144508. PMID 16238408 DOI: 10.1063/1.2034488 |
0.383 |
|
2005 |
Vallet V, Lan Z, Mahapatra S, Sobolewski AL, Domcke W. Photochemistry of pyrrole: time-dependent quantum wave-packet description of the dynamics at the 1pi sigma*-S0 conical intersections. The Journal of Chemical Physics. 123: 144307. PMID 16238391 DOI: 10.1063/1.2049250 |
0.643 |
|
2005 |
Golser R, Gnaser H, Kutschera W, Priller A, Steier P, Wallner A, Cízek M, Horácek J, Domcke W. Experimental and theoretical evidence for long-lived molecular hydrogen anions H2- and D2-. Physical Review Letters. 94: 223003. PMID 16090388 DOI: 10.1103/Physrevlett.94.223003 |
0.338 |
|
2005 |
Lan Z, Domcke W, Vallet V, Sobolewski AL, Mahapatra S. Time-dependent quantum wave-packet description of the 1pi sigma* photochemistry of phenol. The Journal of Chemical Physics. 122: 224315. PMID 15974676 DOI: 10.1063/1.1906218 |
0.657 |
|
2005 |
Sobolewski AL, Domcke W. Photochemistry of water: the (H2O)5 cluster. The Journal of Chemical Physics. 122: 184320. PMID 15918717 DOI: 10.1063/1.1896360 |
0.42 |
|
2005 |
Perun S, Sobolewski AL, Domcke W. Ab initio studies on the radiationless decay mechanisms of the lowest excited singlet states of 9H-adenine. Journal of the American Chemical Society. 127: 6257-65. PMID 15853331 DOI: 10.1021/Ja044321C |
0.449 |
|
2005 |
Egorova D, Gelin MF, Domcke W. Time- and frequency-resolved fluorescence spectra of nonadiabatic dissipative systems: what photons can tell us. The Journal of Chemical Physics. 122: 134504. PMID 15847478 DOI: 10.1063/1.1862618 |
0.659 |
|
2005 |
Horáček J, Cižek M, Kolorenč P, Domcke W. Isotope effects in vibrational excitation and dissociative electron attachment of DCl and DBr European Physical Journal D. 35: 225-230. DOI: 10.1140/Epjd/E2005-00196-3 |
0.468 |
|
2005 |
Perun S, Sobolewski AL, Domcke W. Photostability of 9H-adenine: Mechanisms of the radiationless deactivation of the lowest excited singlet states Chemical Physics. 313: 107-112. DOI: 10.1016/J.Chemphys.2005.01.005 |
0.401 |
|
2005 |
Gelin MF, Egorova D, Domcke W. A new method for the calculation of two-pulse time- and frequency-resolved spectra Chemical Physics. 312: 135-143. DOI: 10.1016/J.Chemphys.2004.11.033 |
0.6 |
|
2005 |
Čížek M, Thoss M, Domcke W. Charge transport through a flexible molecular junction Czechoslovak Journal of Physics. 55: 189-202. DOI: 10.1007/S10582-005-0030-1 |
0.639 |
|
2004 |
Schultz T, Samoylova E, Radloff W, Hertel IV, Sobolewski AL, Domcke W. Efficient deactivation of a model base pair via excited-state hydrogen transfer. Science (New York, N.Y.). 306: 1765-8. PMID 15576616 DOI: 10.1126/Science.1104038 |
0.442 |
|
2004 |
Vallet V, Lan Z, Mahapatra S, Sobolewski AL, Domcke W. Time-dependent quantum wave-packet description of the 1pi sigma* photochemistry of pyrrole. Faraday Discussions. 127: 283-93. PMID 15471350 DOI: 10.1039/B402979H |
0.647 |
|
2004 |
Viel A, Krawczyk RP, Manthe U, Domcke W. Photoinduced dynamics of ethene in the N, V, and Z valence states: a six-dimensional nonadiabatic quantum dynamics investigation. The Journal of Chemical Physics. 120: 11000-10. PMID 15268130 DOI: 10.1063/1.1740696 |
0.472 |
|
2004 |
Čížek M, Thoss M, Domcke W. Theory of vibrationally inelastic electron transport through molecular bridges Physical Review B - Condensed Matter and Materials Physics. 70: 125406-1-125406-13. DOI: 10.1103/Physrevb.70.125406 |
0.659 |
|
2004 |
Horáček J, Čížek M, Houfek K, Kolorenč P, Domcke W. Dissociative electron attachment and vibrational excitation of H 2 by low-energy electrons: Calculations based on an improved nonlocal resonance model Physical Review a - Atomic, Molecular, and Optical Physics. 70: 052712-1-052712-12. DOI: 10.1103/Physreva.70.052712 |
0.415 |
|
2004 |
Neumann S, Eisfeld W, Sobolewski A, Domcke W. Simulation of the resonance Raman spectrum of the hydrated electron in the hydrated-hydronium cluster model Physical Chemistry Chemical Physics. 6: 5297-5303. DOI: 10.1039/B407231F |
0.385 |
|
2004 |
Sobolewski AL, Domcke W. Ab initio studies on the photophysics of the guanine-cytosine base pair Physical Chemistry Chemical Physics. 6: 2763-2771. DOI: 10.1039/B314419D |
0.452 |
|
2004 |
Sobolewski AL, Domcke W. Intramolecular hydrogen bonding in the S1(ππ*) excited state of anthranilic acid and salicylic acid: TDDFT calculation of excited-state geometries and infrared spectra Journal of Physical Chemistry A. 108: 10917-10922. DOI: 10.1021/Jp046428S |
0.441 |
|
2004 |
Egorova D, Domcke W. Quantum dynamical simulations of ultrafast photoinduced electron-transfer processes Journal of Photochemistry and Photobiology a: Chemistry. 166: 19-31. DOI: 10.1016/J.Jphotochem.2004.04.034 |
0.481 |
|
2004 |
Gelin MF, Egorova D, Pisliakov AV, Domcke W. Unified description of sequential and coherent contributions to time-resolved spontaneous emission signals: Generalized doorway-window approach Chemical Physics Letters. 391: 234-242. DOI: 10.1016/J.Cplett.2004.05.018 |
0.587 |
|
2004 |
Egorova D, Domcke W. Coherent vibrational dynamics during ultrafast photoinduced electron-transfer reactions: Quantum dynamical simulations within multilevel Redfield theory Chemical Physics Letters. 384: 157-164. DOI: 10.1016/J.Cplett.2003.11.088 |
0.473 |
|
2004 |
Mahapatra S, Vallet V, Woywod C, Köppel H, Domcke W. Multimode Jahn-Teller and pseudo-Jahn-Teller coupling effects in the photoelectron spectrum of CH3F Chemical Physics. 304: 17-34. DOI: 10.1016/J.Chemphys.2004.04.021 |
0.666 |
|
2004 |
Gelin MF, Egorova D, Domcke W. Time-resolved spontaneous emission beyond the doorway-window approximation Chemical Physics. 301: 129-139. DOI: 10.1016/J.Chemphys.2004.03.008 |
0.653 |
|
2004 |
Poluyanov LV, Domcke W. The relativistic Renner-Teller effect revisited Chemical Physics. 301: 111-127. DOI: 10.1016/J.Chemphys.2004.02.017 |
0.435 |
|
2004 |
Thoss M, Domcke W, Wang H. Theoretical study of vibrational wave-packet dynamics in electron-transfer systems Chemical Physics. 296: 217-229. DOI: 10.1016/J.Chemphys.2003.08.029 |
0.658 |
|
2003 |
Domcke W, Sobolewski AL. Chemistry. Unraveling the molecular mechanisms of photoacidity. Science (New York, N.Y.). 302: 1693-4. PMID 14657482 DOI: 10.1126/Science.1093081 |
0.371 |
|
2003 |
Čížek M, Horáček J, Allan M, Fabrikant II, Domcke W. Vibrational excitation of hydrogen fluoride by low-energy electrons: Theory and experiment Journal of Physics B: Atomic, Molecular and Optical Physics. 36: 2837-2849. DOI: 10.1088/0953-4075/36/13/313 |
0.43 |
|
2003 |
Egorova D, Thoss M, Domcke W, Wang H. Modeling of ultrafast electron-transfer processes: Validity of multilevel Redfield theory Journal of Chemical Physics. 119: 2761-2773. DOI: 10.1063/1.1587121 |
0.631 |
|
2003 |
Krawczyk RP, Viel A, Manthe U, Domcke W. Photoinduced dynamics of the valence states of ethene: A six-dimensional potential-energy surface of three electronic states with several conical intersections Journal of Chemical Physics. 119: 1397-1411. DOI: 10.1063/1.1580092 |
0.416 |
|
2003 |
Woywod C, Scharfe S, Krawczyk R, Domcke W, Köppel H. Theoretical investigation of Jahn-Teller and pseudo-Jahn-Teller interactions in the ammonia cation Journal of Chemical Physics. 118: 5880-5893. DOI: 10.1063/1.1557191 |
0.655 |
|
2003 |
Gelin MF, Pisliakov AV, Egorova D, Domcke W. A simple model for the calculation of nonlinear optical response functions and femtosecond time-resolved spectra Journal of Chemical Physics. 118: 5287-5301. DOI: 10.1063/1.1547751 |
0.631 |
|
2003 |
Sobolewski AL, Domcke W. Anionic water clusters with large vertical electron binding energies and their electronic spectra: (H2O)11 - and (H2O)14 - Physical Chemistry Chemical Physics. 5: 1130-1136. DOI: 10.1039/B211893A |
0.366 |
|
2003 |
Pisliakov AV, Gelin MF, Domcke W. Detection of electronic and vibrational coherence effects in electron-transfer systems by femtosecond time-resolved fluorescence spectroscopy: Theoretical aspects Journal of Physical Chemistry A. 107: 2657-2666. DOI: 10.1021/Jp027491P |
0.686 |
|
2003 |
Sobolewski AL, Domcke W. Photochemistry of HCl(H2O)4: Cluster model of the photodetachment of the chloride anion in water Journal of Physical Chemistry A. 107: 1557-1562. DOI: 10.1021/Jp021533S |
0.389 |
|
2003 |
Sobolewski AL, Domcke W. Ab initio study of the excited-state coupled electron-proton-transfer process in the 2-aminopyridine dimer Chemical Physics. 294: 73-83. DOI: 10.1016/S0301-0104(03)00388-4 |
0.389 |
|
2003 |
Poluyanova LV, Domcke W. Quasiclassical quantization of the four-state vibronic problem associated with accidentally degenerate ∑+, ∏ and ∑- states Chemical Physics. 293: 179-191. DOI: 10.1016/S0301-0104(03)00302-1 |
0.405 |
|
2002 |
Sobolewski AL, Domcke W. On the mechanism of nonradiative decay of DNA bases: Ab initio and TDDFT results for the excited states of 9H-adenine European Physical Journal D. 20: 369-374. DOI: 10.1140/Epjd/E2002-00164-5 |
0.438 |
|
2002 |
Gelin MF, Pisliakov AV, Domcke W. Time- and frequency-gated spontaneous emission as a tool for studying vibrational dynamics in the excited state Physical Review a - Atomic, Molecular, and Optical Physics. 65: 625071-6250714. DOI: 10.1103/Physreva.65.062507 |
0.662 |
|
2002 |
Belyaev AK, Tiukanov AS, Domcke W. Generalized diatomics-in-molecules method for polyatomic anions Physical Review a. Atomic, Molecular, and Optical Physics. 65: 125081-1250815. DOI: 10.1103/Physreva.65.012508 |
0.448 |
|
2002 |
Kühl A, Domcke W. Multilevel Redfield description of the dissipative dynamics at conical intersections Journal of Chemical Physics. 116: 263-274. DOI: 10.1063/1.1423326 |
0.455 |
|
2002 |
Sobolewski AL, Domcke W, Dedonder-Lardeux C, Jouvet C. Excited-state hydrogen detachment and hydrogen transfer driven by repulsive 1πσ* states: A new paradigm for nonradiative decay in aromatic biomolecules Physical Chemistry Chemical Physics. 4: 1093-1100. DOI: 10.1039/B110941N |
0.46 |
|
2002 |
Sobolewski AL, Domcke W. Hydrated hydronium: A cluster model of the solvated electron? Physical Chemistry Chemical Physics. 4: 4-10. DOI: 10.1039/B107373G |
0.435 |
|
2002 |
Čížek M, Horáček J, Allan M, Domcke W. Resonances and threshold phenomena in low-energy electron collisions with hydrogen halides: New experimental and theoretical results Czechoslovak Journal of Physics. 52: 1057-1070. DOI: 10.1023/A:1020537600378 |
0.427 |
|
2002 |
Sobolewski AL, Domcke W. Ab initio investigation of the structure and spectroscopy of hydronium-water clusters Journal of Physical Chemistry A. 106: 4158-4167. DOI: 10.1021/Jp013835K |
0.334 |
|
2002 |
Poluyanov LV, Domcke W. Four-channel semiclassical S-matrix for a Σ+-π-Σ--type conical intersection in triatomic systems Chemical Physics. 279: 215-228. DOI: 10.1016/S0301-0104(02)00449-4 |
0.392 |
|
2002 |
Ermoshin VA, Sobolewski AL, Domcke W. Development of an effective single-electron model of the electronic structure of hydronium and hydronium-water clusters Chemical Physics Letters. 356: 556-562. DOI: 10.1016/S0009-2614(02)00414-1 |
0.394 |
|
2001 |
Cízek M, Horácek J, Sergenton AC, Popovic DB, Allan M, Domcke W, Leininger T, Gadea FX. Inelastic low-energy electron collisions with the HBr and DBr molecules: Experiment and theory Physical Review a. Atomic, Molecular, and Optical Physics. 63: 062710/1-062710/14. DOI: 10.1103/Physreva.63.062710 |
0.416 |
|
2001 |
Sobolewski AL, Domcke W. Photoinduced electron and proton transfer in phenol and its clusters with water and ammonia Journal of Physical Chemistry A. 105: 9275-9283. DOI: 10.1021/Jp011260L |
0.418 |
|
2001 |
Egorova D, Kühl A, Domcke W. Modeling of ultrafast electron-transfer dynamics: Multi-level Redfield theory and validity of approximations Chemical Physics. 268: 105-120. DOI: 10.1016/S0301-0104(01)00293-2 |
0.477 |
|
2000 |
Allan M, Čížek M, Horáček J, Domcke W. Electron scattering in cooled HCl: boomerang structures and outer-well resonances in elastic and vibrational excitation cross sections Journal of Physics B: Atomic, Molecular and Optical Physics. 33: L209-L213. DOI: 10.1088/0953-4075/33/6/103 |
0.345 |
|
2000 |
Sudholt W, Staib A, Sobolewski AL, Domcke W. Molecular-dynamics simulations of solvent effects in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile Physical Chemistry Chemical Physics. 2: 4341-4353. DOI: 10.1039/B003513K |
0.437 |
|
2000 |
Kühl A, Domcke W. Effect of a dissipative environment on the dynamics at a conical intersection Chemical Physics. 259: 227-236. DOI: 10.1016/S0301-0104(00)00199-3 |
0.471 |
|
2000 |
Sobolewski AL, Domcke W. Photoinduced charge separation in indole-water clusters Chemical Physics Letters. 329: 130-137. DOI: 10.1016/S0009-2614(00)00983-0 |
0.407 |
|
2000 |
Sobolewski AL, Domcke W. Photoejection of electrons from pyrrole into an aqueous environment: Ab initio results on pyrrole-water clusters Chemical Physics Letters. 321: 479-484. DOI: 10.1016/S0009-2614(00)00404-8 |
0.416 |
|
2000 |
Krawczyk RP, Malsch K, Hohlneicher G, Gillen RC, Domcke W. 1–2 conical intersection in trans-butadiene: ultrafast dynamics and optical spectra Chemical Physics Letters. 320: 535-541. DOI: 10.1016/S0009-2614(00)00248-7 |
0.44 |
|
1999 |
Čížek M, Horáček J, Domcke W. Associative detachment, dissociative attachment, and vibrational excitation of HCl by low-energy electrons Physical Review a - Atomic, Molecular, and Optical Physics. 60: 2873-2881. DOI: 10.1103/Physreva.60.2873 |
0.443 |
|
1999 |
Sobolewski AL, Domcke W. Ab initio potential-energy functions for excited state intramolecular proton transfer: A comparative study of o-hydroxybenzaldehyde, salicylic acid and 7-hydroxy-1-indanone Physical Chemistry Chemical Physics. 1: 3065-3072. DOI: 10.1039/A902565K |
0.396 |
|
1999 |
Sobolewski AL, Domcke W. Photophysics of Malonaldehyde: An ab Initio Study Journal of Physical Chemistry A. 103: 4494-4504. DOI: 10.1021/Jp990030S |
0.43 |
|
1999 |
Sobolewski AL, Domcke W. Ab initio investigations on the photophysics of indole Chemical Physics Letters. 315: 293-298. DOI: 10.1016/S0009-2614(99)01249-X |
0.436 |
|
1999 |
Sobolewski AL, Domcke W. Potential-energy function for intramolecular proton transfer in the malonaldehyde cation Chemical Physics Letters. 310: 548-552. DOI: 10.1016/S0009-2614(99)00680-6 |
0.367 |
|
1999 |
Sobolewski AL, Domcke W. On the mechanism of rapid non-radiative decay in intramolecularly hydrogen-bonded π systems Chemical Physics Letters. 300: 533-539. DOI: 10.1016/S0009-2614(98)01433-X |
0.437 |
|
1998 |
Plöhn H, Thoss M, Winterstetter M, Domcke W. Effect of a thermal bath on electronic resonance decay: A numerical path-integral study Physical Review a - Atomic, Molecular, and Optical Physics. 58: 1152-1161. DOI: 10.1103/Physreva.58.1152 |
0.592 |
|
1998 |
Cízek M, Horácek J, Domcke W. Nuclear dynamics of the H collision complex beyond the local approximation: associative detachment and dissociative attachment to rotationally and vibrationally excited molecules Journal of Physics B: Atomic, Molecular and Optical Physics. 31: 2571-2583. DOI: 10.1088/0953-4075/31/11/018 |
0.367 |
|
1998 |
Thoss M, Domcke W. Theory of vibrational relaxation processes in resonant collisions of low-energy electrons with large molecules The Journal of Chemical Physics. 109: 6577-6595. DOI: 10.1063/1.477310 |
0.685 |
|
1998 |
Flöthmann H, Schinke R, Woywod C, Domcke W. Photodissociation of ozone in the Chappuis band. III. Product state distributions Journal of Chemical Physics. 109: 2680-2684. DOI: 10.1063/1.476867 |
0.437 |
|
1998 |
Sobolewski AL, Sudholt W, Domcke W. Ab Initio Investigation of Reaction Pathways for Intramolecular Charge Transfer in Dimethylanilino Derivatives The Journal of Physical Chemistry A. 102: 2716-2722. DOI: 10.1021/Jp980435X |
0.37 |
|
1998 |
Wolfseder B, Seidner L, Domcke W, Stock G, Seel M, Engleitner S, Zinth W. Vibrational coherence in ultrafast electron-transfer dynamics of oxazine 1 in N,N-dimethylaniline: simulation of a femtosecond pump-probe experiment Chemical Physics. 233: 323-334. DOI: 10.1016/S0301-0104(98)00132-3 |
0.699 |
|
1998 |
Horáček J, Čížek M, Domcke W. Generalization of the nonlocal resonance model for low-energy electron collisions with hydrogen halides: The variable threshold exponent Theoretical Chemistry Accounts. 100: 31-35. DOI: 10.1007/S002140050363 |
0.448 |
|
1998 |
Engleitner S, Seel M, Wolfseder B, Stock G, Domcke W, Zinth W. Modulation of ultrafast electron transfer dynamics by wavepacket motion in oxazine Springer Series in Chemical Physics. 63: 630-632. |
0.552 |
|
1997 |
Flöthmann H, Beck C, Schinke R, Woywod C, Domcke W. Photodissociation of ozone in the Chappuis band. II. Time-dependent wave-packet calculations and interpretation of diffuse vibrational structures The Journal of Chemical Physics. 107: 7296-7313. DOI: 10.1063/1.474970 |
0.461 |
|
1997 |
Woywod C, Stengle M, Domcke W, Flöthmann H, Schinke R. Photodissociation of ozone in the Chappuis band. I. Electronic structure calculations The Journal of Chemical Physics. 107: 7282-7295. DOI: 10.1063/1.474969 |
0.406 |
|
1997 |
Thoss M, Domcke W. Model study of near-threshold photoionization of large molecules: The effect of vibrational relaxation The Journal of Chemical Physics. 106: 3174-3185. DOI: 10.1063/1.473059 |
0.648 |
|
1997 |
Sobolewski AL, Domcke W. Mechanism of photoinduced intramolecular charge transfer in aminobenzethynes: an ab initio study Journal of Photochemistry and Photobiology a: Chemistry. 105: 325-328. DOI: 10.1016/S1010-6030(96)04603-5 |
0.401 |
|
1997 |
Wolfseder B, Seidner L, Stock G, Domcke W. Femtosecond pump-probe spectroscopy of electron-transfer systems: a nonperturbative approach Chemical Physics. 217: 275-287. DOI: 10.1016/S0301-0104(97)00046-3 |
0.666 |
|
1997 |
Horáček J, Domcke W, Nakamura H. Electron attachment and vibrational excitation in hydrogen iodide: calculations based on the nonlocal resonance model Zeitschrift F�R Physik D Atoms, Molecules and Clusters. 42: 181-185. DOI: 10.1007/S004600050352 |
0.453 |
|
1996 |
Horácek J, Domcke W. Calculation of cross sections for vibrational excitation and dissociative attachment in electron collisions with HBr and DBr. Physical Review. A. 53: 2262-2271. PMID 9913135 DOI: 10.1103/Physreva.53.2262 |
0.407 |
|
1996 |
Krempl S, Domcke W, Winterstetter M. Real-time path-integral approach for general two-state multi-mode vibronic-coupling models Chemical Physics. 206: 63-72. DOI: 10.1016/0301-0104(96)00016-X |
0.463 |
|
1996 |
Sobolewski AL, Domcke W. Promotion of intramolecular charge transfer in dimethylamino derivatives: twisting versus acceptor-group rehybridization Chemical Physics Letters. 259: 119-127. DOI: 10.1016/0009-2614(96)00724-5 |
0.381 |
|
1996 |
Wolfseder B, Domcke W. Intramolecular electron-transfer dynamics in the inverted regime: quantum mechanical multi-mode model including dissipation Chemical Physics Letters. 259: 113-118. DOI: 10.1016/0009-2614(96)00715-4 |
0.451 |
|
1996 |
Sobolewski AL, Domcke W. Charge transfer in aminobenzonitriles: do they twist? Chemical Physics Letters. 250: 428-436. DOI: 10.1016/0009-2614(96)00014-0 |
0.339 |
|
1995 |
Stock G, Woywod C, Domcke W, Swinney T, Hudson BS. Resonance Raman spectroscopy of theS1andS2states of pyrazine: Experiment and first principles calculation of spectra The Journal of Chemical Physics. 103: 6851-6860. DOI: 10.1063/1.470689 |
0.686 |
|
1995 |
Seidner L, Stock G, Domcke W. Nonperturbative approach to femtosecond spectroscopy: General theory and application to multidimensional nonadiabatic photoisomerization processes The Journal of Chemical Physics. 103: 3998-4011. DOI: 10.1063/1.469586 |
0.615 |
|
1995 |
Krempl S, Winterstetter M, Domcke W. Path‐integral treatment of multi‐mode vibronic coupling. II. Correlation expansion of class averages The Journal of Chemical Physics. 102: 6499-6510. DOI: 10.1063/1.469364 |
0.389 |
|
1995 |
Plöhn H, Krempl S, Winterstetter M, Domcke W. Path-integral treatment of the real-time dynamics of few-mode spin-boson models Chemical Physics. 200: 11-21. DOI: 10.1016/0301-0104(95)00232-D |
0.428 |
|
1995 |
Thoss M, Domcke W. A model for the quantum dynamics of Rydberg states of large molecules Chemical Physics Letters. 245: 364-370. DOI: 10.1016/0009-2614(95)01003-R |
0.654 |
|
1995 |
Winterstetter M, Domcke W. Recursive evaluation of the real-time path integral for dissipative systems. The spin-boson model Chemical Physics Letters. 236: 445-450. DOI: 10.1016/0009-2614(95)00257-5 |
0.4 |
|
1995 |
Wolfseder B, Domcke W. Multi-mode vibronic coupling with dissipation. Application of the Monte Carlo wavefunction propagation method Chemical Physics Letters. 235: 370-376. DOI: 10.1016/0009-2614(95)00134-P |
0.416 |
|
1995 |
Horáček J, Domcke W. Calculation of dissociative electron attachment and vibrational excitation cross-section of HBr Chemical Physics Letters. 234: 304-308. DOI: 10.1016/0009-2614(95)00062-9 |
0.438 |
|
1994 |
Krempl S, Winterstetter M, Plöhn H, Domcke W. Path‐integral treatment of multi‐mode vibronic coupling The Journal of Chemical Physics. 100: 926-937. DOI: 10.1063/1.467253 |
0.483 |
|
1994 |
Woywod C, Domcke W, Sobolewski AL, Werner H. Characterization of theS1–S2conical intersection in pyrazine usingabinitiomulticonfiguration self‐consistent‐field and multireference configuration‐interaction methods The Journal of Chemical Physics. 100: 1400-1413. DOI: 10.1063/1.466618 |
0.387 |
|
1994 |
Seidner L, Domcke W. Microscopic modelling of photoisomerization and internal-conversion dynamics Chemical Physics. 186: 27-40. DOI: 10.1016/0301-0104(94)00154-5 |
0.474 |
|
1994 |
Seidner L, Stock G, Domcke W. Model studies on femtosecond spectroscopy of multidimensional photoisomerization and internal-conversion dynamics. A nonperturbative approach Chemical Physics Letters. 228: 665-671. DOI: 10.1016/0009-2614(94)00989-9 |
0.676 |
|
1994 |
Domcke W, Woywod C, Stengle M. Diabatic CASSCF orbitals and wavefunctions Chemical Physics Letters. 226: 257-262. DOI: 10.1016/0009-2614(94)00726-8 |
0.407 |
|
1994 |
Gertitschke PL, Domcke W. Time-dependent wave-packet dynamics with memory: the electron-HCl collision complex Zeitschrift F�R Physik D Atoms, Molecules and Clusters. 31: 171-179. DOI: 10.1007/Bf01437832 |
0.455 |
|
1993 |
Winterstetter M, Domcke W. Path-integral approach to resonant electron-molecule scattering. Physical Review. A. 47: 2838-2855. PMID 9909251 DOI: 10.1103/Physreva.47.2838 |
0.369 |
|
1993 |
Gertitschke PL, Domcke W. Time-dependent wave-packet description of dissociative electron attachment. Physical Review. A. 47: 1031-1044. PMID 9909025 DOI: 10.1103/Physreva.47.1031 |
0.349 |
|
1993 |
Gertitschke PL, Domcke W. Systematically improved local complex potential approximation for the dynamics of electron-molecule collision complexes Journal of Physics B: Atomic, Molecular and Optical Physics. 26: 2927-2942. DOI: 10.1088/0953-4075/26/17/024 |
0.388 |
|
1993 |
Sobolewski AL, Woywod C, Domcke W. Ab initioinvestigation of potential‐energy surfaces involved in the photophysics of benzene and pyrazine The Journal of Chemical Physics. 98: 5627-5641. DOI: 10.1063/1.464907 |
0.36 |
|
1993 |
Stock G, Domcke W. Femtosecond spectroscopy of ultrafast nonadiabatic excited-state dynamics on the basis of ab initio potential-energy surfaces: the S2 state of pyrazine The Journal of Physical Chemistry. 97: 12466-12472. DOI: 10.1021/J100150A004 |
0.693 |
|
1993 |
Staib A, Domcke W. Vibronic coupling in the pE″ Rydberg series of NH3 Chemical Physics Letters. 204: 505-510. DOI: 10.1016/0009-2614(93)89194-M |
0.377 |
|
1993 |
Domcke W, Sobolewski A, Woywod C. Internal conversion funnel in benzene and pyrazine: adiabatic and diabatic representation Chemical Physics Letters. 203: 220-226. DOI: 10.1016/0009-2614(93)85391-Z |
0.333 |
|
1993 |
Seidner L, Domcke W, von Niessen W. X̃2AG—Ã 2B1g conical intersection in the pyrazine cation and its effect on the photoelectron spectrum Chemical Physics Letters. 205: 117-122. DOI: 10.1016/0009-2614(93)85176-O |
0.399 |
|
1993 |
Sobolewski AL, Domcke W. Evidence for the need of a non-Born—Oppenheimer description of excited-state hydrogen transfer Chemical Physics Letters. 211: 82-87. DOI: 10.1016/0009-2614(93)80055-T |
0.447 |
|
1992 |
Stock G, Domcke W. Detection of ultrafast molecular-excited-state dynamics with time- and frequency-resolved pump-probe spectroscopy. Physical Review. A. 45: 3032-3040. PMID 9907338 DOI: 10.1103/Physreva.45.3032 |
0.639 |
|
1992 |
Seidner L, Stock G, Sobolewski AL, Domcke W. Abinitiocharacterization of theS1–S2conical intersection in pyrazine and calculation of spectra The Journal of Chemical Physics. 96: 5298-5309. DOI: 10.1063/1.462715 |
0.642 |
|
1992 |
Woywod C, Domcke W. Theoretical study of the photoelectron spectrum of allene Chemical Physics. 162: 349-358. DOI: 10.1016/0301-0104(92)85011-I |
0.379 |
|
1992 |
Eiding J, Domcke W. Perturbation of the Jahn-Teller effect by partial isotopic substitution: multi-mode vibronic coupling in the X 2E1g and B 2E2g states of 1,4-C6H4D+2 Chemical Physics. 163: 133-147. DOI: 10.1016/0301-0104(92)80147-N |
0.453 |
|
1992 |
Stock G, Woywod C, Domcke W. Model study on the real-time detection of ultrafast nonadiabatic dynamics associated with the Wulf-Chappuis bands of ozone Chemical Physics Letters. 200: 163-172. DOI: 10.1016/0009-2614(92)87063-U |
0.646 |
|
1991 |
Gertitschke PL, Domcke W. Friction in dissociative attachment Journal of Physics B: Atomic, Molecular and Optical Physics. 24: L367-L374. DOI: 10.1088/0953-4075/24/15/003 |
0.345 |
|
1991 |
Seel M, Domcke W. Femtosecond time‐resolved ionization spectroscopy of ultrafast internal‐conversion dynamics in polyatomic molecules: Theory and computational studies The Journal of Chemical Physics. 95: 7806-7822. DOI: 10.1063/1.461816 |
0.383 |
|
1991 |
Staib A, Domcke W. Jahn–Teller coupling in Rydberg series of benzene The Journal of Chemical Physics. 94: 5402-5413. DOI: 10.1063/1.460502 |
0.478 |
|
1991 |
Domcke W. Theory of resonance and threshold effects in electron-molecule collisions: The projection-operator approach Physics Reports. 208: 97-188. DOI: 10.1016/0370-1573(91)90125-6 |
0.417 |
|
1991 |
Staib A, Domcke W, Sobolewski A. Vibronic coupling in Rydberg series of linear molecules Chemical Physics. 156: 21-31. DOI: 10.1016/0301-0104(91)87033-R |
0.428 |
|
1991 |
Seel M, Domcke W. Model studies on femtosecond time-resolved ionization spectroscopy of excited-state vibrational dynamics and vibronic coupling Chemical Physics. 151: 59-72. DOI: 10.1016/0301-0104(91)80006-4 |
0.503 |
|
1991 |
Sobolewski A, Domcke W. Photophysically relevant potential energy functions of low-lying singlet states of benzene, pyridine and pyrazine: an ab initio study Chemical Physics Letters. 180: 381-386. DOI: 10.1016/0009-2614(91)90337-9 |
0.448 |
|
1991 |
Eiding J, Domcke W, Huber W, Steinrück H. Jahn—Teller effect of the 2e2g level of chemisorbed benzene Chemical Physics Letters. 180: 133-138. DOI: 10.1016/0009-2614(91)87129-Y |
0.397 |
|
1991 |
Eiding J, Schneider R, Domcke W, Köppel H, von Niessen W. Ab initio investigation of the multimode dynamical Jahn-Teller effect in the X̃ 2E1g state of the benzene cation Chemical Physics Letters. 177: 345-351. DOI: 10.1016/0009-2614(91)85042-U |
0.634 |
|
1990 |
Stock G, Domcke W. Theory of femtosecond pump–probe spectroscopy of ultrafast internal conversion processes in polyatomic molecules Journal of the Optical Society of America B. 7: 1970. DOI: 10.1364/Josab.7.001970 |
0.67 |
|
1990 |
Stock G, Domcke W. Theory of resonance Raman scattering and fluorescence from strongly vibronically coupled excited states of polyatomic molecules The Journal of Chemical Physics. 93: 5496-5509. DOI: 10.1063/1.459619 |
0.691 |
|
1990 |
Schneider R, Domcke W, Köppel H. Aspects of dissipative electronic and vibrational dynamics of strongly vibronically coupled systems The Journal of Chemical Physics. 92: 1045-1061. DOI: 10.1063/1.458167 |
0.662 |
|
1990 |
Staib A, Domcke W, Sobolewski AL. Jahn-Teller effect in Rydberg series: a multi-state vibronic coupling problem Zeitschrift FüR Physik D Atoms, Molecules and Clusters. 16: 49-60. DOI: 10.1007/Bf01831565 |
0.421 |
|
1990 |
Staib A, Domcke W. Analysis of the Jahn-Teller effect in then p 2 E? Rydberg series of H3 and D3 Zeitschrift F�R Physik D Atoms, Molecules and Clusters. 16: 275-282. DOI: 10.1007/Bf01437531 |
0.448 |
|
1990 |
Gertitschke PL, Domcke W. Threshold peaks in the vibrational excitation of molecules by electron impact: a time-dependent view Zeitschrift F�R Physik D Atoms, Molecules and Clusters. 16: 189-200. DOI: 10.1007/Bf01437332 |
0.448 |
|
1989 |
Estrada H, Domcke W. Non-Markovian dynamics of electron-molecule collision complexes. Physical Review. A. 40: 1262-1278. PMID 9902259 DOI: 10.1103/Physreva.40.1262 |
0.415 |
|
1989 |
Stock G, Schneider R, Domcke W. Theoretical studies on the femtosecond real‐time measurement of ultrafast electronic decay in polyatomic molecules The Journal of Chemical Physics. 90: 7184-7194. DOI: 10.1063/1.456248 |
0.651 |
|
1989 |
Schneider R, Domcke W. Surface-hopping-induced femtosecond vibrational dephasing in strongly vibronically coupled systems Chemical Physics Letters. 159: 61-65. DOI: 10.1016/S0009-2614(89)87455-X |
0.436 |
|
1989 |
Staib A, Domcke W, Sobolewski A. MQDT analysis of radiationless decay rates of autoionizing rydberg states of polyatomic molecules Chemical Physics Letters. 162: 336-341. DOI: 10.1016/0009-2614(89)87055-1 |
0.45 |
|
1988 |
Domcke W, Estrada H. Friction and memory effects in the dynamics of short-lived negative ions Journal of Physics B: Atomic, Molecular and Optical Physics. 21: L205-L211. DOI: 10.1088/0953-4075/21/9/003 |
0.368 |
|
1988 |
Domcke W, Sobolewski AL, Lin SH. Resonances in molecular photoionization. IV. Theory of one‐color and two‐color near‐threshold photoionization of molecules The Journal of Chemical Physics. 89: 6209-6219. DOI: 10.1063/1.455438 |
0.458 |
|
1988 |
Köppel H, Cederbaum LS, Domcke W. Interplay of Jahn–Teller and pseudo‐Jahn–Teller vibronic dynamics in the benzene cation The Journal of Chemical Physics. 89: 2023-2040. DOI: 10.1063/1.455100 |
0.643 |
|
1988 |
Sobolewski AL, Domcke W. Resonances in molecular photoionization. III. Multichannel extension and application to polyatomic molecules The Journal of Chemical Physics. 88: 5571-5579. DOI: 10.1063/1.454568 |
0.45 |
|
1988 |
Stock G, Domcke W. Model studies on the time-resolved measurement of excited-state vibrational dynamics and vibronic coupling Chemical Physics. 124: 227-238. DOI: 10.1016/0301-0104(88)87152-0 |
0.631 |
|
1988 |
Schneider R, Domcke W. S1-S2 Conical intersection and ultrafast S2→S1 Internal conversion in pyrazine Chemical Physics Letters. 150: 235-242. DOI: 10.1016/0009-2614(88)80034-4 |
0.389 |
|
1987 |
Sobolewski AL, Domcke W. Resonances in molecular photoionization. I. Model calculations and analysis of general phenomena The Journal of Chemical Physics. 86: 176-187. DOI: 10.1063/1.452608 |
0.419 |
|
1987 |
Domcke W, Köppel H. Model calculation on the pump-probe measurement of ultrafast electronic population decay in polyatomic molecules Chemical Physics Letters. 140: 133-141. DOI: 10.1016/0009-2614(87)80803-5 |
0.677 |
|
1986 |
Domcke W, Berman M, Mündel C, Meyer H. Direct calculation of complex resonance poles using separable expansions of the potential: Application to the 2 Sigma u+ shape resonance in electron-H2 scattering. Physical Review. A. 33: 222-232. PMID 9896603 DOI: 10.1103/Physreva.33.222 |
0.386 |
|
1986 |
Estrada H, Cederbaum LS, Domcke W. Vibronic coupling of short‐lived electronic states The Journal of Chemical Physics. 84: 152-169. DOI: 10.1063/1.450165 |
0.485 |
|
1985 |
Mündel C, Berman M, Domcke W. Nuclear dynamics in resonant electron-molecule scattering beyond the local approximation: Vibrational excitation and dissociative attachment in H2 and D2. Physical Review. A. 32: 181-193. PMID 9896039 DOI: 10.1103/Physreva.32.181 |
0.436 |
|
1985 |
Berman M, Mündel C, Domcke W. Projection-operator calculations for molecular shape resonances: The 2 Sigma u+ resonance in electron-hydrogen scattering. Physical Review. A. 31: 641-651. PMID 9895534 DOI: 10.1103/Physreva.31.641 |
0.38 |
|
1985 |
Domcke W, Mundel C. Calculation of cross sections for vibrational excitation and dissociative attachment in HCl and DCl beyond the local-complex-potential approximation Journal of Physics B: Atomic and Molecular Physics. 18: 4491-4509. DOI: 10.1088/0022-3700/18/22/017 |
0.44 |
|
1984 |
Berman M, Domcke W. Projection-operator calculations for shape resonances: A new method based on the many-body optical-potential approach Physical Review A. 29: 2485-2496. DOI: 10.1103/Physreva.29.2485 |
0.359 |
|
1984 |
Mundel C, Domcke W. Nuclear dynamics in resonant electron-molecule scattering beyond the local approximation: model calculations on dissociative attachment and vibrational excitation Journal of Physics B: Atomic and Molecular Physics. 17: 3593-3616. DOI: 10.1088/0022-3700/17/17/028 |
0.346 |
|
1984 |
Berman M, Domcke W. Direct calculation of complex resonance poles in electron-molecule scattering using separable T-matrix expansions Journal of Physics B: Atomic and Molecular Physics. 17: L453-L458. DOI: 10.1088/0022-3700/17/13/006 |
0.378 |
|
1984 |
Köppel H, Cederbaum L, Domcke W. Strong non-adiabatic effects in C2D4+ Chemical Physics Letters. 110: 469-473. DOI: 10.1016/0009-2614(84)87072-4 |
0.562 |
|
1983 |
Ohno M, Domcke W. Theory of resonance and threshold effects in the electronic excitation of molecules by electron impact Physical Review A. 28: 3315-3327. DOI: 10.1103/Physreva.28.3315 |
0.472 |
|
1983 |
Berman M, Estrada H, Cederbaum LS, Domcke W. Nuclear dynamics in resonant electron-molecule scattering beyond the local approximation: The 2.3-eV shape resonance inN2 Physical Review A. 28: 1363-1381. DOI: 10.1103/Physreva.28.1363 |
0.439 |
|
1983 |
Berman M, Cederbaum LS, Domcke W. Analysis of the ambiguities in the definition of the local complex potential in resonant electron-molecule scattering Journal of Physics B: Atomic and Molecular Physics. 16: 875-890. DOI: 10.1088/0022-3700/16/5/019 |
0.346 |
|
1983 |
Domcke W. Analytic theory of resonances and bound states near Coulomb thresholds Journal of Physics B: Atomic and Molecular Physics. 16: 359-380. DOI: 10.1088/0022-3700/16/3/012 |
0.391 |
|
1983 |
Estrada H, Berman M, Cederbaum L, Domcke W. Theoretical study of electron transmission through N2 Chemical Physics Letters. 97: 352-356. DOI: 10.1016/0009-2614(83)80506-5 |
0.405 |
|
1983 |
Köppel H, Cederbaum LS, Domcke W, Shaik SS. Symmetry Breaking and Non-Born-Oppenheimer Effects in Radical Cations Angewandte Chemie International Edition in English. 22: 210-224. DOI: 10.1002/Anie.198302101 |
0.654 |
|
1982 |
Köppel H, Cederbaum LS, Domcke W. Strong nonadiabatic effects and conical intersections in molecular spectroscopy and unimolecular decay: C2H4+ The Journal of Chemical Physics. 77: 2014-2022. DOI: 10.1063/1.444055 |
0.636 |
|
1982 |
Köppel H, Cederbaum L, Domcke W. Strong non-condon effects induced by electron correlation: N2O+ Chemical Physics. 69: 175-183. DOI: 10.1016/0301-0104(82)88144-5 |
0.669 |
|
1981 |
Cederbaum LS, Domcke W. Local against non-local complex potential in resonant electron-molecule scattering Journal of Physics B: Atomic and Molecular Physics. 14: 4665-4690. DOI: 10.1088/0022-3700/14/23/025 |
0.361 |
|
1981 |
Domcke W, Cederbaum LS. On the interpretation of low-energy electron-HCl scattering phenomena Journal of Physics B: Atomic and Molecular Physics. 14: 149-173. DOI: 10.1088/0022-3700/14/1/016 |
0.394 |
|
1981 |
Domcke W, Köppel H, Cederbaum L. Spectroscopic effects of conical intersections of molecular potential energy surfaces Molecular Physics. 43: 851-875. DOI: 10.1080/00268978100101721 |
0.685 |
|
1981 |
Köppel H, Domcke W, Cederbaum LS. Theory of vibronic coupling in linear molecules The Journal of Chemical Physics. 74: 2945-2968. DOI: 10.1063/1.441417 |
0.68 |
|
1981 |
Cook JPD, White MG, Brion CE, Domcke W, Schirmer J, Cederbaum LS, von Niessen W. On the valence shell binding energy spectrum of carbonyl sulphide Journal of Electron Spectroscopy and Related Phenomena. 22: 261-270. DOI: 10.1016/0368-2048(81)85015-3 |
0.377 |
|
1981 |
Von Niessen W, Cederbaum L, Domcke W, Diercksen G. Green's function calculations on the complete valence ionization spectra of HF, HCl, HBr AND HI Chemical Physics. 56: 43-52. DOI: 10.1016/0301-0104(81)85098-7 |
0.389 |
|
1981 |
Unwin R, Khan I, Richardson NV, Bradshaw AM, Cederbaum LS, Domcke W. The effect of a resonance on vibrational structure in the photoelectron spectrum of acetylene Chemical Physics Letters. 77: 242-245. DOI: 10.1016/0009-2614(81)80138-8 |
0.411 |
|
1980 |
Cederbaum LS, Domcke W, Schirmer J, Niessen Wv. Many-Body Effects in Valence and Core Photoionization of Molecules Physica Scripta. 21: 481-491. DOI: 10.1088/0031-8949/21/3-4/040 |
0.31 |
|
1980 |
Maier CH, Cederbaum LS, Domcke W. A spherical-box approach to resonances Journal of Physics B: Atomic and Molecular Physics. 13: L119-L124. DOI: 10.1088/0022-3700/13/4/001 |
0.363 |
|
1980 |
Domcke W, Cederbaum LS. Vibration-induced narrowing of electron scattering resonances near threshold Journal of Physics B: Atomic and Molecular Physics. 13: 2829-2838. DOI: 10.1088/0022-3700/13/14/022 |
0.431 |
|
1980 |
Haller E, Cederbaum L, Domcke W. The E⊗(ϵ + ϵ) Jahn-Teller effect Molecular Physics. 41: 1291-1315. DOI: 10.1080/00268978000103551 |
0.44 |
|
1980 |
Köppel H, Haller E, Cederbaum L, Domcke W. Jahn-Teller effect for very strong coupling Molecular Physics. 41: 669-677. DOI: 10.1080/00268978000103061 |
0.612 |
|
1980 |
Cederbaum LS, Domcke W, Schirmer J, Köppel H. Dynamical calculation of satellite intensities The Journal of Chemical Physics. 72: 1348-1358. DOI: 10.1063/1.439198 |
0.69 |
|
1980 |
Cederbaum L, Haller E, Domcke W. Effective single-mode Hamiltonian for the calculation of multi-mode Jahn-Teller band shapes Solid State Communications. 35: 879-881. DOI: 10.1016/0038-1098(80)91044-3 |
0.346 |
|
1980 |
Haller E, Cederbaum L, Domcke W, Köppel H. Two-mode jahn-teller effect in nh+3 Chemical Physics Letters. 72: 427-431. DOI: 10.1016/0009-2614(80)80323-X |
0.6 |
|
1980 |
Bradshaw A, Eberhardt W, Levinson H, Domcke W, Cederbaum L. Photon energy dependence of satelite line intensity in the photoelectron spectrum of acetylene Chemical Physics Letters. 70: 36-40. DOI: 10.1016/0009-2614(80)80055-8 |
0.318 |
|
1979 |
Domcke W. Vibrational State Dependence of the Photoelectron Angular Asymmetry Parameter caused by Vibronic Coupling Physica Scripta. 19: 11-15. DOI: 10.1088/0031-8949/19/1/002 |
0.44 |
|
1979 |
Domcke W, Cederbaum LS, Kaspar F. Threshold phenomena in electron-molecule scattering: a non-adiabatic theory Journal of Physics B: Atomic and Molecular Physics. 12: L359-L364. DOI: 10.1088/0022-3700/12/12/007 |
0.431 |
|
1979 |
Domcke W, Cederbaum LS, Schirmer J, von Niessen W, Brion CE, Tan KH. Experimental and theoretical investigation of the complete valence shell ionization spectra of CO2and N2O Chemical Physics. 40: 171-183. DOI: 10.1016/0301-0104(79)85131-9 |
0.393 |
|
1979 |
Köppel H, Cederbaum L, Domcke W, Von Niessen W. Vibronic coupling in linear molecules and linear-to-bent transitions: HCN Chemical Physics. 37: 303-317. DOI: 10.1016/0301-0104(79)85031-4 |
0.684 |
|
1979 |
Kaspar F, Domcke W, Cederbaum L. The influence of finite lifetime of electronic states on the vibrational structure of molecular electronic spectra Chemical Physics. 44: 33-44. DOI: 10.1016/0301-0104(79)80060-9 |
0.365 |
|
1979 |
Schirmer J, Domcke W, Cederbaum L, von Niessen W, Åsbrink L. Strong correlation effects in the ionisation of CS2 Chemical Physics Letters. 61: 30-35. DOI: 10.1016/0009-2614(79)85078-2 |
0.343 |
|
1978 |
Schirmer J, Domcke W, Cederbaum LS, Niessen Wv. Break-down of the molecular-orbital picture of ionization: CS, PN and P2 Journal of Physics B: Atomic and Molecular Physics. 11: 1901-1915. DOI: 10.1088/0022-3700/11/11/007 |
0.349 |
|
1978 |
Köppel H, Cederbaum L, Domcke W, von Niessen W. The Jahn-Teller effect in NH3+ Molecular Physics. 35: 1283-1299. DOI: 10.1080/00268977800100961 |
0.447 |
|
1978 |
Köppel H, Domcke W, Cederbaum LS, Niessen Wv. Vibronic coupling effects in the photoelectron spectrum of ethylene The Journal of Chemical Physics. 69: 4252-4263. DOI: 10.1063/1.437110 |
0.671 |
|
1978 |
Cederbaum LS, Domcke W, Schirmer J, von Niessen W, Diercksen GHF, Kraemer WP. Correlation effects in the ionization of hydrocarbons The Journal of Chemical Physics. 69: 1591-1603. DOI: 10.1063/1.436733 |
0.331 |
|
1978 |
von Niessen W, Domcke W, Cederbaum LS, Schirmer J. Interpretation of the photoelectron spectrum of N2O4 Journal of the Chemical Society, Faraday Transactions 2. 74: 1550. DOI: 10.1039/F29787401550 |
0.38 |
|
1978 |
Domcke W, Cederbaum L, Schirmer J, von Niessen W, Maier J. Breakdown of the molecular orbital picture of ionization for inner valence electrons: experimental and theoretical study of H2S and PH3 Journal of Electron Spectroscopy and Related Phenomena. 14: 59-72. DOI: 10.1016/0368-2048(78)85055-5 |
0.357 |
|
1978 |
Domcke W, Cederbaum L. Electronic recoil effects in high-energy photoelectron spectroscopy Journal of Electron Spectroscopy and Related Phenomena. 13: 161-173. DOI: 10.1016/0368-2048(78)85024-5 |
0.471 |
|
1978 |
Cederbaum L, Domcke W, Köppel H. Jahn—Teller effect induced by non-degenerate vibrational modes in cumulenes Chemical Physics. 33: 319-326. DOI: 10.1016/0301-0104(78)87081-5 |
0.607 |
|
1978 |
Schirmer J, Cederbaum L, Domcke W, Von Niessen W. Complete breakdown of the quasiparticle picture for inner-valence electrons: Hydrogen cyanide and formic acid Chemical Physics Letters. 57: 582-587. DOI: 10.1016/0009-2614(78)85325-1 |
0.383 |
|
1978 |
Cederbaum LS, Schirmer J, Domcke W, Von Niessen W. On the adequacy of the molecular-orbital picture for describing ionization processes International Journal of Quantum Chemistry. 14: 593-601. DOI: 10.1002/Qua.560140506 |
0.366 |
|
1977 |
Bradshaw AM, Domcke W, Cederbaum LS. Intrinsic and extrinsic plasmon coupling in x-ray photoemission from core states of adsorbed atoms Physical Review B. 16: 1480-1488. DOI: 10.1103/Physrevb.16.1480 |
0.319 |
|
1977 |
Domcke W, Cederbaum LS. Theory of the vibrational structure of resonances in electron-molecule scattering Physical Review A. 16: 1465-1482. DOI: 10.1103/Physreva.16.1465 |
0.482 |
|
1977 |
Domcke W, Cederbaum LS. A simple formula for the vibrational structure of resonances in electron-molecule scattering Journal of Physics B: Atomic and Molecular Physics. 10: L47-L52. DOI: 10.1088/0022-3700/10/2/003 |
0.402 |
|
1977 |
Cederbaum LS, Schirmer J, Domcke W, Niessen Wv. Complete breakdown of the quasiparticle picture for inner valence electrons Journal of Physics B: Atomic and Molecular Physics. 10: L549-L553. DOI: 10.1088/0022-3700/10/15/001 |
0.393 |
|
1977 |
Cederbaum LS, Domcke W, Niessen Wv. Many-body calculation of electron affinities: C2and a prediction for P2 Journal of Physics B: Atomic and Molecular Physics. 10: 2963-2970. DOI: 10.1088/0022-3700/10/14/028 |
0.419 |
|
1977 |
Domcke W, Cederbaum L, Köppel H, von Niessen W. A comparison of different approaches to the calculation of franck-condon factors for polyatomic molecules Molecular Physics. 34: 1759-1770. DOI: 10.1080/00268977700102941 |
0.649 |
|
1977 |
Cederbaum L, Domcke W, von Niessen W, Kraemer W. A difficult assignment problem Molecular Physics. 34: 381-396. DOI: 10.1080/00268977700101791 |
0.376 |
|
1977 |
Cederbaum L, Domcke W, von Niessen W. Radiative electron-attachment spectra of O3and SO2 Molecular Physics. 33: 1399-1406. DOI: 10.1080/00268977700101161 |
0.463 |
|
1977 |
von Niessen W, Domcke W, Cederbaum LS, Kraemer WP. Ionization potentials and vibrational structure in photoelectron spectra by a Green’s function method:trans‐HNNH,cis‐HNNH, and 1,1‐dihydrodiazine (H2NN) The Journal of Chemical Physics. 67: 44-51. DOI: 10.1063/1.434539 |
0.423 |
|
1977 |
von Niessen W, Cederbaum LS, Domcke W, Diercksen GHF. Many‐body calculations on molecules with second‐row atoms: H2S and H2CS The Journal of Chemical Physics. 66: 4893-4899. DOI: 10.1063/1.433827 |
0.373 |
|
1977 |
Cederbaum LS, Domcke W. Localized and delocalized core holes and their interrelation The Journal of Chemical Physics. 66: 5084-5086. DOI: 10.1063/1.433763 |
0.339 |
|
1977 |
Domcke W, Cederbaum L, von Niessen W, Diercksen G. On the photoelectron spectrum of PN Journal of Electron Spectroscopy and Related Phenomena. 11: 239-243. DOI: 10.1016/0368-2048(77)85115-3 |
0.303 |
|
1977 |
Cederbaum L, Domcke W, Köppel H, Von Niessen W. Strong vibronic coupling effects in ionization spectra: The “mystery band” of butatriene Chemical Physics. 26: 169-177. DOI: 10.1016/0301-0104(77)87041-9 |
0.659 |
|
1976 |
von Niessen W, Cederbaum L, Domcke W, Diercksen G. Ionization potentials of HCN and HNC by a Green's function method Molecular Physics. 32: 1057-1061. DOI: 10.1080/00268977600102451 |
0.364 |
|
1976 |
Domcke W, Cederbaum LS. A many‐body approach to the vibrational structure in molecular electronic spectra. II. Application to nitrogen, carbon monoxide, and formaldehyde The Journal of Chemical Physics. 64: 612-625. DOI: 10.1063/1.432251 |
0.441 |
|
1976 |
Cederbaum LS, Domcke W. A many‐body approach to the vibrational structure in molecular electronic spectra. I. Theory The Journal of Chemical Physics. 64: 603-611. DOI: 10.1063/1.432250 |
0.51 |
|
1976 |
Domcke W, Cederbaum L, von Niessen W, Kraemer W. Calculation of the HeI photoelectron spectrum of CS including satellite lines Chemical Physics Letters. 43: 258-262. DOI: 10.1016/0009-2614(76)85298-0 |
0.392 |
|
1975 |
Cederbaum L, Domcke W, Von Niessen W. A theoretical photoelectron spectrum of cyanogen by a Green-function method Chemical Physics. 10: 459-470. DOI: 10.1016/0301-0104(75)87058-3 |
0.434 |
|
1975 |
Domcke W, Cederbaum L. On the vibrational structure in inner-shell ionization spectra by a many-body approach Chemical Physics Letters. 31: 582-587. DOI: 10.1016/0009-2614(75)85091-3 |
0.45 |
|
1975 |
Cederbaum L, Domcke W, von Niessen W. On the controversial assignment of the ionization potentials of formaldehyde Chemical Physics Letters. 34: 60-62. DOI: 10.1016/0009-2614(75)80200-4 |
0.368 |
|
1975 |
Cederbaum LS, Domcke W, von Niessen W, Brenig W. On the interpretation of the photoelectron spectrum of CO chemisorbed on Ni Zeitschrift FüR Physik B Condensed Matter. 21: 381-388. DOI: 10.1007/Bf01325398 |
0.408 |
|
1974 |
Bradshaw AM, Cederbaum SL, Domcke W, Krause U. Plasmon coupling to core hole excitations in carbon Journal of Physics C: Solid State Physics. 7: 4503-4512. DOI: 10.1088/0022-3719/7/24/013 |
0.396 |
|
1974 |
Cederbaum LS, Domcke W. On the vibrational structure in photoelectron spectra by the method of Green's functions The Journal of Chemical Physics. 60: 2878-2889. DOI: 10.1063/1.1681457 |
0.425 |
|
1974 |
Cederbaum L, Domcke W. An analogue to koopmans' theorem for the problem of vibrational structure in electron detachment spectra Chemical Physics Letters. 25: 357-363. DOI: 10.1016/0009-2614(74)85317-0 |
0.432 |
|
1973 |
Fröbrich P, Domcke W. The spreading width of rotational doorway states Physics Letters B. 45: 451-454. DOI: 10.1016/0370-2693(73)90641-2 |
0.408 |
|
1973 |
Domcke W, Fröbrich P. Shell model theory of elastic scattering of nucleons by deformed nuclei Zeitschrift FüR Physik a Hadrons and Nuclei. 258: 1-11. DOI: 10.1007/Bf01392703 |
0.359 |
|
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