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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

277 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
2021 Pios S, Huang X, Sobolewski AL, Domcke W. Triangular boron carbon nitrides: an unexplored family of chromophores with unique properties for photocatalysis and optoelectronics. Physical Chemistry Chemical Physics : Pccp. PMID 34059871 DOI: 10.1039/d1cp02026a  0.52
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  1
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  1
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  0.52
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  1
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  0.52
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  0.52
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  0.8
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  1
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  0.52
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  1
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  1
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  1
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  0.52
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  0.52
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  0.52
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  1
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  1
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  0.52
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  0.52
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  1
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  0.52
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  1
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  1
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  1
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  1
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  0.52
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  1
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  0.52
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  1
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  1
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  1
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  0.52
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  1
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  1
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  0.8
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  0.52
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  0.52
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  0.56
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  0.52
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  1
2015 Belyaev AK, Domcke W, Lasser C, Trigila G. Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations Journal of Chemical Physics. 142. DOI: 10.1063/1.4913962  1
2015 Tuna D, Došli? N, Mališ M, Sobolewski AL, Domcke W. Mechanisms of photostability in kynurenines: A joint electronic-structure and dynamics study Journal of Physical Chemistry B. 119: 2112-2124. DOI: 10.1021/jp501782v  1
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  1
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  1
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  1
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  1
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  0.52
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  1
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  1
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  1
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  1
2014 Karsili TNV, Marchetti B, Ashfold MNR, Domcke W. Ab initio study of potential ultrafast internal conversion routes in oxybenzone, caffeic acid, and ferulic acid: Implications for sunscreens Journal of Physical Chemistry A. 118: 11999-12010. DOI: 10.1021/jp507282d  1
2014 Liu X, Sobolewski AL, Domcke W. Photoinduced oxidation of water in the pyridine-water complex: Comparison of the singlet and triplet photochemistries Journal of Physical Chemistry A. 118: 7788-7795. DOI: 10.1021/jp505188y  1
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  1
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  1
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  1
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  1
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  0.48
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  1
2013 Domcke W, Sobolewski AL. Peptide deactivation: Spectroscopy meets theory Nature Chemistry. 5: 257-258. PMID 23511411 DOI: 10.1038/Nchem.1601  1
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  0.72
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  1
2013 Bhattacharyya S, Opalka D, Poluyanov LV, Domcke W. Jahn-Teller theory beyond the standard model Journal of Physics: Conference Series. 428. DOI: 10.1088/1742-6596/428/1/012015  1
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  1
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  1
2013 Opalka D, Domcke W. Interpolation of multi-sheeted multi-dimensional potential-energy surfaces via a linear optimization procedure Journal of Chemical Physics. 138. DOI: 10.1063/1.4808358  1
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. DOI: 10.1039/c3fd00006k  1
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. 15: 5957-5966. DOI: 10.1039/c3cp44585b  1
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  1
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  1
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  1
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  1
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  1
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  0.8
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  1
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  0.52
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  1
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  0.8
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  1
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  1
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  1
2012 Belyaev AK, Lebedev OV, Domcke W. Nonadiabatic nuclear dynamics in the ammonia cation studied by the branching classical trajectory method Journal of Physics: Conference Series. 388. DOI: 10.1088/1742-6596/388/10/102005  1
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  1
2012 Poluyanov LV, Domcke W. Jahn-Teller, pseudo-Jahn-Teller, and spin-orbit coupling Hamiltonian of a d electron in an octahedral environment Journal of Chemical Physics. 137. DOI: 10.1063/1.4751439  1
2012 Venkatesan TS, Ramesh SG, Lan Z, Domcke W. Theoretical analysis of photoinduced H-atom elimination in thiophenol Journal of Chemical Physics. 136. DOI: 10.1063/1.4709608  1
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  1
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  1
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  1
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  1
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  1
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  0.8
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  1
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  1
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  0.52
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  1
2011 Opalka D, Poluyanov LV, Domcke W. Relativistic Jahn-Teller effects in the photoelectron spectra of tetrahedral P4, As4, Sb4, and Bi4 Journal of Chemical Physics. 135. DOI: 10.1063/1.3629779  1
2011 Yamazaki S, Sobolewski AL, Domcke W. Molecular mechanisms of the photostability of indigo Physical Chemistry Chemical Physics. 13: 1618-1628. DOI: 10.1039/c0cp01901a  1
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  1
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  1
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  1
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  1
2011 Gelin MF, Egorova D, Domcke W. Beyond third-order response: Strong-pulse and N-wave-mixing optical spectroscopies Optics Infobase Conference Papers 1
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  1
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  1
2010 Sobolewski AL, Domcke W. Molecular mechanisms of the photostability of life. Physical Chemistry Chemical Physics : Pccp. 12: 4897-8. PMID 20407664 DOI: 10.1039/c005130f  0.52
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  1
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  1
2010 Opalka D, Domcke W. High-order expansion of T2 × t2 Jahn-Teller potential-energy surfaces in tetrahedral molecules Journal of Chemical Physics. 132. DOI: 10.1063/1.3382912  1
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 Journal of Chemical Physics. 132. DOI: 10.1063/1.3268705  1
2010 Sobolewski AL, Domcke W. Molecular mechanisms of the photostability of life Physical Chemistry Chemical Physics. 12: 4897-4898. DOI: 10.1039/c005130f  1
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  1
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  1
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  1
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  1
2010 Poluyanov LV, Domcke W. Spin-Orbit Vibronic Coupling in Jahn-Teller and Renner Systems Springer Series in Chemical Physics. 97: 77-97. DOI: 10.1007/978-3-642-03432-9_4  1
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  1
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  1
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  1
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  1
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  0.52
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  1
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  1
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  1
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  1
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  1
2009 Carrera A, Nielsen IB, Ça?abal P, Dedonder C, Broquier M, Jouvet C, Domcke W, Sobolewski AL. Biradicalic excited states of zwitterionic phenol-ammonia clusters Journal of Chemical Physics. 130. DOI: 10.1063/1.3054292  1
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  1
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  1
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  1
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  0.8
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  1
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  1
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  1
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  0.52
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  0.8
2008 Poluyanov LV, Domcke W. Relativistic E×T Jahn-Teller effect in tetrahedral systems Journal of Chemical Physics. 129. DOI: 10.1063/1.3035189  1
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  1
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  1
2008 Sobolewski AL, Domcke W. Computational model of photocatalytic water splitting Journal of Physical Chemistry A. 112: 7311-7313. DOI: 10.1021/jp803814x  1
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 Journal of Physical Chemistry A. 112: 7090-7097. DOI: 10.1021/jp802759v  1
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  1
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  1
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  1
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  1
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  1
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  1
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  0.52
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  1
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  0.8
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  1
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  1
2007 ?ížek M, Horá?ek J, Domcke W. Long-lived anionic states of H2, HD, D2, and T2 Physical Review a - Atomic, Molecular, and Optical Physics. 75. DOI: 10.1103/Physreva.75.012507  1
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  1
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  1
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  1
2007 Frutos LM, Markmann A, Sobolewski AL, Domcke W. Photoinduced electron and proton transfer in the hydrogen-bonded pyridine - Pyrrole system Journal of Physical Chemistry B. 111: 6110-6112. DOI: 10.1021/jp0729361  1
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  1
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  1
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  1
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  1
2007 Persico M, Rega N, Cossi M, Soteras I, Blanco D, Huertas O, Bidon-Chanal A, Luque FJ, Truhlar DG, Pliego JR, Ladanyi BM, Newton MD, Domcke W, Sobolewski AL, Laage D, et al. Chemical Reactivity in the Ground and the Excited State Continuum Solvation Models in Chemical Physics: From Theory to Applications. 313-497. DOI: 10.1002/9780470515235.ch3  1
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  0.56
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  1
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  0.8
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2006 Sobolewski AL, Domcke W. The chemical physics of the photostability of life Europhysics News. 37: 20-23. DOI: 10.1051/Epn:2006405  1
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  1
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  1
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  1
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  1
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  1
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  1
2006 Neumann S, Eisfeld W, Sobolewski AL, Domcke W. Simulation of resonance Raman spectra of the solvated electron in water and methanol Femtochemistry Vii. 154-162. DOI: 10.1016/B978-044452821-6/50026-5  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2004 Poluyanov LV, Domcke W. The relativistic Renner-Teller effect revisited Chemical Physics. 301: 111-127. DOI: 10.1016/J.Chemphys.2004.02.017  1
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  1
2004 Abe M, Ohtsuki Y, Fujimura Y, Domcke W. Optimal control of femtosecond photoisomerization of retinal in rhodopsin: Effects of conical intersections Springer Series in Chemical Physics. 79: 613-615. DOI: 10.1007/3-540-27213-5_187  1
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  1
2003 Viel A, Krawczyk RP, Manthe U, Domcke W. The sudden-polarization effect and its role in the ultrafast photochemistry of ethene. Angewandte Chemie (International Ed. in English). 42: 3434-6. PMID 12888979 DOI: 10.1002/Anie.200351193  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2001 Gillen RC, Ostojic B, Domcke W. Theoretical investigation of Ã2Σg +-X̃2 Πu vibronic-coupling and ultrafast internal-conversion dynamics in the acetylene cation Chemical Physics. 272: 1-14. DOI: 10.1016/S0301-0104(01)00448-7  1
2001 Ostoji B, Domcke W. Ab initio investigation of the potential energy surfaces involved in the photophysics of s-trans-1,3-butadiene Chemical Physics. 269: 1-10. DOI: 10.1016/S0301-0104(01)00373-1  1
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  1
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  1
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  1
2000 Sobolewski AL, Domcke W. Conical intersections induced by repulsive 1πσ* states in planar organic molecules: Malonaldehyde, pyrrole and chlorobenzene as photochemical model systems Chemical Physics. 259: 181-191. DOI: 10.1016/S0301-0104(00)00203-2  1
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  1
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  1
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  1
2000 Krawczyk RP, Malsch K, Hohlneicher G, Gillen RC, Domcke W. 1 1Bu - 2 1Ag conical intersection in trans-butadiene: Ultrafast dynamics and optical spectra Chemical Physics Letters. 320: 535-541.  1
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  1
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  1
1999 Sobolewski AL, Domcke W. Photophysics of Malonaldehyde: An ab Initio Study Journal of Physical Chemistry A. 103: 4494-4504. DOI: 10.1021/Jp990030S  1
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  1
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  1
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  1
1999 Sudholt W, Sobolewski AL, Domcke W. Ab initio study of the amino group twisting and wagging reaction paths in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile Chemical Physics. 240: 9-18.  1
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  1
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  1
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  1
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.  1
1993 Winterstetter M, Domcke W. Path-integral approach to resonant electron-molecule scattering. II. Second-order cumulant approximation and multimode applications. Physical Review. A. 48: 4272-4285. PMID 9910129  0.56
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  0.56
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  0.96
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  0.56
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  1
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  1
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  1
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