| Year |
Citation |
Score |
| 2024 |
Dey D, Woodhouse JL, Taylor MP, Fielding HH, Worth GA. On the multiphoton ionisation photoelectron spectra of phenol. Physical Chemistry Chemical Physics : Pccp. PMID 38205824 DOI: 10.1039/d3cp05559k |
0.391 |
|
| 2024 |
Gómez S, Spinlove E, Worth G. Benchmarking non-adiabatic quantum dynamics using the molecular Tully models. Physical Chemistry Chemical Physics : Pccp. PMID 38170796 DOI: 10.1039/d3cp03964a |
0.682 |
|
| 2023 |
Danilov D, Jenkins AJ, Bearpark MJ, Worth GA, Robb MA. Coherent Mixing of Singlet and Triplet States in Acrolein and Ketene: A Computational Strategy for Simulating the Electron-Nuclear Dynamics of Intersystem Crossing. The Journal of Physical Chemistry Letters. 14: 6127-6134. PMID 37364275 DOI: 10.1021/acs.jpclett.3c01187 |
0.719 |
|
| 2023 |
Gerlach M, Mant B, Preitschopf T, Karaev E, Mayer D, Quitián-Lara HM, Hemberger P, Bozek J, Worth G, Fischer I. Photoelectron spectroscopy and dissociative photoionization of fulminic acid, HCNO. The Journal of Chemical Physics. 158: 134303. PMID 37031131 DOI: 10.1063/5.0142194 |
0.42 |
|
| 2022 |
Dey D, Kuleff AI, Worth GA. Quantum Interference Paves the Way for Long-Lived Electronic Coherences. Physical Review Letters. 129: 173203. PMID 36332247 DOI: 10.1103/PhysRevLett.129.173203 |
0.392 |
|
| 2022 |
Green JA, Gómez S, Worth G, Santoro F, Improta R. Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform. Chemistry (Weinheim An Der Bergstrasse, Germany). e202203016. PMID 36202627 DOI: 10.1002/chem.202203016 |
0.616 |
|
| 2022 |
Green JA, Gomez Rodriguez S, Worth GA, Santoro F, Improta R. Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 35950519 DOI: 10.1002/chem.202201731 |
0.343 |
|
| 2022 |
Danilov D, Tran T, Bearpark MJ, Marangos JP, Worth GA, Robb MA. How electronic superpositions drive nuclear motion following the creation of a localized hole in the glycine radical cation. The Journal of Chemical Physics. 156: 244114. PMID 35778090 DOI: 10.1063/5.0093780 |
0.727 |
|
| 2021 |
Tran T, Worth GA, Robb MA. Control of nuclear dynamics in the benzene cation by electronic wavepacket composition. Communications Chemistry. 4: 48. PMID 36697520 DOI: 10.1038/s42004-021-00485-3 |
0.619 |
|
| 2021 |
Gómez S, Soysal EN, Worth GA. Micro-Solvated DMABN: Excited State Quantum Dynamics and Dual Fluorescence Spectra. Molecules (Basel, Switzerland). 26. PMID 34885829 DOI: 10.3390/molecules26237247 |
0.74 |
|
| 2021 |
Christopoulou G, Tran T, Worth GA. Direct nonadiabatic quantum dynamics simulations of the photodissociation of phenol. Physical Chemistry Chemical Physics : Pccp. 23: 23684-23695. PMID 34642723 DOI: 10.1039/d1cp01843d |
0.516 |
|
| 2021 |
Guo H, Worth G, Domcke W. Quantum dynamics with ab initio potentials. The Journal of Chemical Physics. 155: 080401. PMID 34470339 DOI: 10.1063/5.0066234 |
0.355 |
|
| 2021 |
Bosse L, Mant BP, Schleier D, Gerlach M, Fischer I, Krueger A, Hemberger P, Worth G. Threshold Photoelectron Spectrum of Cyclobutadiene: Comparison with Time-Dependent Wavepacket Simulations. The Journal of Physical Chemistry Letters. 12: 6901-6906. PMID 34279954 DOI: 10.1021/acs.jpclett.1c01848 |
0.33 |
|
| 2021 |
Olivucci M, Tran T, Worth GA, Robb MA. Unlocking the Double Bond in Protonated Schiff Bases by Coherent Superposition of S and S. The Journal of Physical Chemistry Letters. 5639-5643. PMID 34110826 DOI: 10.1021/acs.jpclett.1c01379 |
0.661 |
|
| 2021 |
Di Maiolo F, Worth GA, Burghardt I. Multi-layer Gaussian-based multi-configuration time-dependent Hartree (ML-GMCTDH) simulations of ultrafast charge separation in a donor-acceptor complex. The Journal of Chemical Physics. 154: 144106. PMID 33858146 DOI: 10.1063/5.0046933 |
0.324 |
|
| 2021 |
Christopoulou G, Freibert A, Worth GA. Improved algorithm for the direct dynamics variational multi-configurational Gaussian method. The Journal of Chemical Physics. 154: 124127. PMID 33810697 DOI: 10.1063/5.0043720 |
0.392 |
|
| 2020 |
Lehr A, Gómez S, Parkes MA, Worth GA. The role of vibronic coupling in the electronic spectroscopy of maleimide: a multi-mode and multi-state quantum dynamics study. Physical Chemistry Chemical Physics : Pccp. PMID 33135692 DOI: 10.1039/d0cp04514d |
0.726 |
|
| 2020 |
Patel AM, Henley A, Parkes MA, Assmann M, Worth GA, Anderson JC, Fielding HH. Shining light on the electronic structure and relaxation dynamics of the isolated oxyluciferin anion. Physical Chemistry Chemical Physics : Pccp. PMID 32808948 DOI: 10.1039/D0Cp03276J |
0.403 |
|
| 2020 |
Tran T, Jenkins AJ, Worth GA, Robb MA. The quantum-Ehrenfest method with the inclusion of an IR pulse: Application to electron dynamics of the allene radical cation. The Journal of Chemical Physics. 153: 031102. PMID 32716173 DOI: 10.1063/5.0015937 |
0.602 |
|
| 2020 |
Giussani A, Worth GA. How important is roaming in the photodegradation of nitrobenzene? Physical Chemistry Chemical Physics : Pccp. PMID 32572418 DOI: 10.1039/d0cp02077j |
0.339 |
|
| 2020 |
Madsen NK, Hansen MBOT, Worth GA, Christiansen O. MR-MCTDH[n]: Flexible configuration spaces and non-adiabatic dynamics within the MCTDH[n] framework. Journal of Chemical Theory and Computation. PMID 32544331 DOI: 10.1021/Acs.Jctc.0C00379 |
0.375 |
|
| 2020 |
Geng T, Ehrmaier J, Schalk O, Richings GW, Hansson T, Worth GA, Thomas RD. Time-Resolved Photoelectron Spectroscopy Studies of Isoxazole and Oxazole. The Journal of Physical Chemistry. A. PMID 32242664 DOI: 10.1021/acs.jpca.9b11788 |
0.415 |
|
| 2019 |
Alvertis AM, Barford W, Bourne Worster S, Burghardt I, Datta A, Dijkstra A, Fay T, Ghosh S, Grünbaum T, Habershon S, Hore PJ, Hutchinson D, Iyengar S, Jones AR, Jones G, ... ... Worth G, et al. Quantum coherence in complex environments: general discussion. Faraday Discussions. PMID 31793613 DOI: 10.1039/C9Fd90076D |
0.346 |
|
| 2019 |
Alvertis AM, Barford W, Bourne Worster S, Burghardt I, Chin A, Datta A, Dijkstra A, Fay T, Fielding H, Grünbaum T, Habershon S, Hammes-Schiffer S, Iyengar S, Jones AR, Komarova K, ... ... Worth G, et al. Spectroscopic signatures of quantum effects: general discussion. Faraday Discussions. PMID 31778136 DOI: 10.1039/C9Fd90074H |
0.365 |
|
| 2019 |
Neville SP, Mirmiran A, Worth GA, Schuurman MS. Electron transfer in photoexcited pyrrole dimers. The Journal of Chemical Physics. 151: 164304. PMID 31675891 DOI: 10.1063/1.5120006 |
0.791 |
|
| 2019 |
Giussani A, Worth GA. Similar chemical structures, dissimilar triplet quantum yields: a CASPT2 model rationalizing the trend of triplet quantum yields in nitroaromatic systems. Physical Chemistry Chemical Physics : Pccp. 21: 10514-10522. PMID 31070625 DOI: 10.1039/c9cp00705a |
0.363 |
|
| 2019 |
Sanz-Sanz C, Worth GA. Field modified spin-orbit potential curves of IBr. Preliminary dynamical results. Physical Chemistry Chemical Physics : Pccp. PMID 30899926 DOI: 10.1039/c8cp07248e |
0.326 |
|
| 2018 |
Babikov D, Benoit D, Bowman J, Burd T, Clary D, Donovan R, Fischer I, Gianturco F, Hochlaf M, Kar S, Kirrander A, Leone S, Malcomson T, Manthe U, McCoy AB, ... ... Worth G, et al. Quantum dynamics of isolated molecules: general discussion. Faraday Discussions. PMID 30511069 DOI: 10.1039/C8Fd90052C |
0.643 |
|
| 2018 |
Bacic Z, Benoit D, Besemer M, Bowman J, Bradforth S, Clary D, Donovan R, Fischer I, Gianturco F, Hochlaf M, Houston P, Knowles P, Leone S, Linguerri R, Manthe U, ... ... Worth G, et al. Precise characterisation of isolated molecules: general discussion. Faraday Discussions. PMID 30507986 DOI: 10.1039/C8Fd90050G |
0.545 |
|
| 2018 |
Spinlove KE, Richings GW, Robb MA, Worth GA. Curve crossing in a manifold of coupled electronic states: direct quantum dynamics simulations of formamide. Faraday Discussions. PMID 30238103 DOI: 10.1039/C8Fd00090E |
0.66 |
|
| 2018 |
Jenkins AJ, Spinlove KE, Vacher M, Worth GA, Robb MA. The Ehrenfest method with fully quantum nuclear motion (Qu-Eh): Application to charge migration in radical cations. The Journal of Chemical Physics. 149: 094108. PMID 30195291 DOI: 10.1063/1.5038428 |
0.58 |
|
| 2018 |
Riley J, Wang B, Woodhouse J, Assmann M, Worth GA, Fielding HH. Unravelling the Role of an Aqueous Environment on the Electronic Structure and Ionisation of Phenol Using Photoelectron Spectroscopy. The Journal of Physical Chemistry Letters. PMID 29356540 DOI: 10.1021/Acs.Jpclett.7B03310 |
0.357 |
|
| 2017 |
Fielding HH, Worth GA. Using time-resolved photoelectron spectroscopy to unravel the electronic relaxation dynamics of photoexcited molecules. Chemical Society Reviews. PMID 29168864 DOI: 10.1039/C7Cs00627F |
0.407 |
|
| 2017 |
Robertson C, Worth GA. Modelling the vibrationally mediated photo-dissociation of acetylene. Physical Chemistry Chemical Physics : Pccp. PMID 29082411 DOI: 10.1039/c7cp05684b |
0.345 |
|
| 2017 |
Woodhouse JL, Assmann M, Parkes MA, Grounds H, Pacman SJ, Anderson JC, Worth GA, Fielding HH. Photoelectron spectroscopy of isolated luciferin and infraluciferin anions in vacuo: competing photodetachment, photofragmentation and internal conversion. Physical Chemistry Chemical Physics : Pccp. PMID 28820195 DOI: 10.1039/C7Cp04815G |
0.419 |
|
| 2017 |
Giussani A, Worth GA. Insights into the Complex Photophysics and Photochemistry of the Simplest Nitroaromatic Compound: A CASPT2//CASSCF Study on Nitrobenzene. Journal of Chemical Theory and Computation. 13: 2777-2788. PMID 28437102 DOI: 10.1021/acs.jctc.6b01149 |
0.365 |
|
| 2016 |
Keß M, Worth G, Engel V. Two-dimensional vibronic spectroscopy of molecular aggregates: Trimers, dimers, and monomers Journal of Chemical Physics. 145: 84305. PMID 27586920 DOI: 10.1063/1.4961388 |
0.339 |
|
| 2016 |
Neville SP, Kirkby OM, Kaltsoyannis N, Worth GA, Fielding HH. Identification of a new electron-transfer relaxation pathway in photoexcited pyrrole dimers. Nature Communications. 7: 11357. PMID 27098394 DOI: 10.1038/Ncomms11357 |
0.708 |
|
| 2016 |
Wu G, Neville SP, Schalk O, Sekikawa T, Ashfold MN, Worth GA, Stolow A. Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study. The Journal of Chemical Physics. 144: 014309. PMID 26747808 DOI: 10.1063/1.4938423 |
0.748 |
|
| 2015 |
Richings GW, Worth GA. A Practical Diabatisation Scheme for Use with the Direct-Dynamics Variational Multi-Configuration Gaussian Method. The Journal of Physical Chemistry. A. 119: 12457-70. PMID 26422169 DOI: 10.1021/acs.jpca.5b07921 |
0.412 |
|
| 2015 |
Polyak I, Allan CS, Worth GA. A complete description of tunnelling using direct quantum dynamics simulation: Salicylaldimine proton transfer. The Journal of Chemical Physics. 143: 084121. PMID 26328832 DOI: 10.1063/1.4929478 |
0.39 |
|
| 2015 |
Wu G, Neville SP, Schalk O, Sekikawa T, Ashfold MN, Worth GA, Stolow A. Excited state non-adiabatic dynamics of pyrrole: a time-resolved photoelectron spectroscopy and quantum dynamics study. The Journal of Chemical Physics. 142: 074302. PMID 25702010 DOI: 10.1063/1.4907529 |
0.767 |
|
| 2014 |
Richings GW, Worth GA. The time-resolved photoelectron spectrum of toluene using a perturbation theory approach. The Journal of Chemical Physics. 141: 244115. PMID 25554141 DOI: 10.1063/1.4904079 |
0.424 |
|
| 2013 |
Jones KM, Milkiewicz JA, Whitaker BJ, Sage AG, Worth GA. Photodissociation of ClNO in the 2 1A' state: computational and experimental NO product state distributions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 1479-87. PMID 23471849 DOI: 10.1002/Cphc.201200999 |
0.415 |
|
| 2012 |
Mendive-Tapia D, Lasorne B, Worth GA, Robb MA, Bearpark MJ. Towards converging non-adiabatic direct dynamics calculations using frozen-width variational gaussian product basis functions. The Journal of Chemical Physics. 137: 22A548. PMID 23249085 DOI: 10.1063/1.4765087 |
0.734 |
|
| 2012 |
Assmann M, Worth GA, González L. 9D nonadiabatic quantum dynamics through a four-state conical intersection: investigating the homolysis of the O-O bond in anthracene-9,10-endoperoxide. The Journal of Chemical Physics. 137: 22A524. PMID 23249061 DOI: 10.1063/1.4742908 |
0.566 |
|
| 2012 |
Richings GW, Worth GA. Non-resonant dynamic Stark control at a conical intersection: the photodissociation of ammonia. The Journal of Physical Chemistry. A. 116: 11228-40. PMID 22861172 DOI: 10.1021/jp305216v |
0.332 |
|
| 2011 |
Sanz-Sanz C, Richings GW, Worth GA. Dynamic Stark control: model studies based on the photodissociation of IBr. Faraday Discussions. 153: 275-91; discussion 2. PMID 22452087 |
0.363 |
|
| 2011 |
Giri K, Chapman E, Sanz CS, Worth G. A full-dimensional coupled-surface study of the photodissociation dynamics of ammonia using the multiconfiguration time-dependent Hartree method. The Journal of Chemical Physics. 135: 044311. PMID 21806123 DOI: 10.1063/1.3614038 |
0.521 |
|
| 2010 |
Mendive-Tapia D, Lasorne B, Worth GA, Bearpark MJ, Robb MA. Controlling the mechanism of fulvene S(1)/S(0) decay: switching off the stepwise population transfer. Physical Chemistry Chemical Physics : Pccp. 12: 15725-33. PMID 21082138 DOI: 10.1039/C0Cp01757D |
0.707 |
|
| 2010 |
Penfold TJ, Worth GA, Meier C. Local control of multidimensional dynamics. Physical Chemistry Chemical Physics : Pccp. 12: 15616-27. PMID 20571618 DOI: 10.1039/C003768K |
0.599 |
|
| 2010 |
Allan CS, Lasorne B, Worth GA, Robb MA. A straightforward method of analysis for direct quantum dynamics: application to the photochemistry of a model cyanine. The Journal of Physical Chemistry. A. 114: 8713-29. PMID 20499843 DOI: 10.1021/Jp101574B |
0.591 |
|
| 2010 |
Asturiol D, Lasorne B, Worth GA, Robb MA, Blancafort L. Exploring the sloped-to-peaked S2/S1 seam of intersection of thymine with electronic structure and direct quantum dynamics calculations. Physical Chemistry Chemical Physics : Pccp. 12: 4949-58. PMID 20445901 DOI: 10.1039/C001556C |
0.613 |
|
| 2009 |
Araújo M, Lasorne B, Magalhães AL, Worth GA, Bearpark MJ, Robb MA. The molecular dissociation of formaldehyde at medium photoexcitation energies: A quantum chemistry and direct quantum dynamics study. The Journal of Chemical Physics. 131: 144301. PMID 19831435 DOI: 10.1063/1.3242082 |
0.68 |
|
| 2009 |
Penfold TJ, Worth GA. A model Hamiltonian to simulate the complex photochemistry of benzene II. The Journal of Chemical Physics. 131: 064303. PMID 19691384 DOI: 10.1063/1.3197555 |
0.677 |
|
| 2008 |
Lasorne B, Bearpark MJ, Robb MA, Worth GA. Controlling S1/S0 decay and the balance between photochemistry and photostability in benzene: a direct quantum dynamics study. The Journal of Physical Chemistry. A. 112: 13017-27. PMID 18826292 DOI: 10.1021/Jp803740A |
0.7 |
|
| 2008 |
Lasorne B, Sicilia F, Bearpark MJ, Robb MA, Worth GA, Blancafort L. Automatic generation of active coordinates for quantum dynamics calculations: application to the dynamics of benzene photochemistry. The Journal of Chemical Physics. 128: 124307. PMID 18376919 DOI: 10.1063/1.2839607 |
0.721 |
|
| 2007 |
Penfold TJ, Worth GA. The photodissociation of ozone: a quasi-classical approach to a quantum dynamics problem. Journal of Molecular Graphics & Modelling. 26: 613-21. PMID 17337348 DOI: 10.1016/j.jmgm.2007.01.012 |
0.654 |
|
| 2006 |
Saddique S, Worth G. Applying the vibronic coupling model Hamiltonian to the photoelectron spectrum of cyclobutadiene Chemical Physics. 329: 99-108. DOI: 10.1016/J.Chemphys.2006.06.040 |
0.474 |
|
| 2005 |
Paterson MJ, Bearpark MJ, Robb MA, Blancafort L, Worth GA. Conical intersections: A perspective on the computation of spectroscopic Jahn-Teller parameters and the degenerate 'intersection space'. Physical Chemistry Chemical Physics : Pccp. 7: 2100-15. PMID 19791401 DOI: 10.1039/B416538A |
0.678 |
|
| 2005 |
Markmann A, Worth GA, Mahapatra S, Meyer HD, Köppel H, Cederbaum LS. Simulation of a complex spectrum: interplay of five electronic states and 21 vibrational degrees of freedom in C5H4 +. The Journal of Chemical Physics. 123: 204310. PMID 16351259 DOI: 10.1063/1.2104531 |
0.76 |
|
| 2005 |
Markmann A, Worth GA, Cederbaum LS. Allene and pentatetraene cations as models for intramolecular charge transfer: vibronic coupling Hamiltonian and conical intersections. The Journal of Chemical Physics. 122: 144320. PMID 15847535 DOI: 10.1063/1.1867433 |
0.553 |
|
| 2004 |
Worth GA, Cederbaum LS. Beyond Born-Oppenheimer: molecular dynamics through a conical intersection. Annual Review of Physical Chemistry. 55: 127-58. PMID 15117250 DOI: 10.1146/Annurev.Physchem.55.091602.094335 |
0.55 |
|
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