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Wolfgang Domcke, Ph.D. - Publications

Affiliations: 
Chemistry Technical University of Munich (TUM), München, Bayern, Germany 
Area:
Theoretical chemistry
Website:
http://www.theo.chemie.tu-muenchen.de/Domcke/Domcke.htm
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409 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

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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