Wolfgang Domcke

Wolfgang Domcke's AcademicInfluence.com Rankings

Wolfgang Domcke

Chemistry

#1775

World Rank

#2568

Historical Rank

Computational Chemistry

#11

World Rank

#11

Historical Rank

Quantum Chemistry

#23

World Rank

#23

Historical Rank

Physical Chemistry

#170

World Rank

#203

Historical Rank

chemistry Degrees

Wolfgang Domcke

Physics

#3528

World Rank

#4988

Historical Rank

physics Degrees

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Chemistry
Physics

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Wolfgang Domcke's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Multimode Molecular Dynamics Beyond the Born‐Oppenheimer Approximation (2007) (1355)
Conical Intersections: Electronic Structure, Dynamics and Spectroscopy (2004) (991)
Excited-state hydrogen detachment and hydrogen transfer driven by repulsive 1πσ* states: A new paradigm for nonradiative decay in aromatic biomolecules (2002) (770)
Role of conical intersections in molecular spectroscopy and photoinduced chemical dynamics. (2012) (354)
Conical Intersections: Theory, Computation and Experiment (2011) (328)
Theory of resonance and threshold effects in electron-molecule collisions: The projection-operator approach (1991) (299)
Efficient Deactivation of a Model Base Pair via Excited-State Hydrogen Transfer (2004) (284)
Ab initio studies on the radiationless decay mechanisms of the lowest excited singlet states of 9H-adenine. (2005) (256)
Tautomeric selectivity of the excited-state lifetime of guanine/cytosine base pairs: the role of electron-driven proton-transfer processes. (2005) (246)
Photoinduced Electron and Proton Transfer in Phenol and Its Clusters with Water and Ammonia (2001) (232)
Femtosecond time-resolved ionization spectroscopy of ultrafast internal-conversion dynamics in polyatomic molecules : theory and computational studies (1991) (216)
Computational studies of the photophysics of hydrogen-bonded molecular systems. (2007) (206)
Ab initio studies on the photophysics of the guanine?cytosine base pair (2004) (203)
Theoretical Aspects of Ionization Potentials and Photoelectron Spectroscopy: A Green's Function Approach (2007) (202)
Ab initio potential-energy functions for excited state intramolecular proton transfer: a comparative study of o-hydroxybenzaldehyde, salicylic acid and 7-hydroxy-1-indanone (1999) (198)
Correlation Effects in the Ionization of Molecules: Breakdown of the Molecular Orbital Picture (2007) (193)
Correlation effects in the ionization of hydrocarbons (1978) (192)
Ab initio investigations on the photophysics of indole (1999) (188)
Theory of Ultrafast Nonadiabatic Excited‐State Processes and their Spectroscopic Detection in Real Time (2007) (185)
NONPERTURBATIVE APPROACH TO FEMTOSECOND SPECTROSCOPY : GENERAL THEORY AND APPLICATION TO MULTIDIMENSIONAL NONADIABATIC PHOTOISOMERIZATION PROCESSES (1995) (178)
Conical intersections induced by repulsive 1πσ* states in planar organic molecules: malonaldehyde, pyrrole and chlorobenzene as photochemical model systems (2000) (177)
Many-body theory of core holes (1980) (168)
On the mechanism of nonradiative decay of DNA bases: ab initio and TDDFT results for the excited states of 9H-adenine (2002) (167)
Characterization of the S1–S2 conical intersection in pyrazine using ab initio multiconfiguration self‐consistent‐field and multireference configuration‐interaction methods (1994) (166)
A many‐body approach to the vibrational structure in molecular electronic spectra. I. Theory (1976) (163)
Role of electron-driven proton-transfer processes in the excited-state deactivation of the adenine-thymine base pair. (2006) (158)
Conical intersections in thymine. (2006) (155)
Interplay of Jahn–Teller and pseudo‐Jahn–Teller vibronic dynamics in the benzene cation (1988) (154)
Photostability of 9H-adenine: mechanisms of the radiationless deactivation of the lowest excited singlet states (2005) (141)
Modeling of ultrafast electron-transfer processes: Validity of multilevel Redfield theory (2003) (137)
Charge transfer in aminobenzonitriles: do they twist? (1996) (134)
Spectroscopic Effects of Conical Intersections of Molecular Potential Energy Surfaces: Photoelectron Spectra of the Cumulenes CnH4 (n= 2 ... 5) and of HCN (1981) (134)
Unraveling the Molecular Mechanisms of Photoacidity (2003) (130)
Ab initio study of the excited-state coupled electron proton-transfer process in the 2-aminopyridine dimer (2003) (129)
Ab initio investigation of the structure and spectroscopy of hydronium-water clusters (2002) (126)
Strong Correlation Effects in inner Valence Ionization of N2 AND CO (1977) (124)
On the nature and signatures of the solvated electron in water. (2012) (122)
Aspects of dissipative electronic and vibrational dynamics of strongly vibronically coupled systems (1990) (119)
Photophysics of intramolecularly hydrogen-bonded aromatic systems: ab initio exploration of the excited-state deactivation mechanisms of salicylic acid. (2006) (118)
Direct construction of diabatic states in the CASSCF approach. Application to the conical intersection of the 1A2 and 1B1 excited states of ozone (1993) (117)
Vibronic coupling and symmetry breaking in core electron ionization (1977) (115)
Strong vibronic coupling effects in ionization spectra: The “mystery band” of butatriene (1977) (115)
Theoretical studies of inner-valence-shell photoionization cross sections in N2 and CO (1981) (112)
Ab initio investigation of potential‐energy surfaces involved in the photophysics of benzene and pyrazine (1993) (111)
Localized and delocalized core holes and their interrelation (1977) (110)
Multilevel Redfield description of the dissipative dynamics at conical intersections (2002) (107)
Photochemistry of pyrrole: Time-dependent quantum wave-packet description of the dynamics at the π1σ*-S0 conical intersections (2005) (107)
Hydrated hydronium: a cluster model of the solvated electron? (2002) (106)
Many-Body Effects in Valence and Core Photoionization of Molecules (1980) (103)
Promotion of intramolecular charge transfer in dimethylamino derivatives: twisting versus acceptor-group rehybridization (1996) (101)
Time-dependent quantum wave-packet description of the 1pi sigma* photochemistry of phenol. (2005) (101)
Vibronic coupling effects in the photoelectron spectrum of ethylene (1978) (100)
Ab Initio Investigation of Reaction Pathways for Intramolecular Charge Transfer in Dimethylanilino Derivatives (1998) (97)
Experimental and theoretical investigation of the complete valence shell ionization spectra of CO2and N2O (1979) (97)
Microscopic modelling of photoisomerization and internal-conversion dynamics (1994) (97)
Strong nonadiabatic effects and conical intersections in molecular spectroscopy and unimolecular decay: C2H4+ (1982) (97)
Ab initio characterization of the conical intersections involved in the photochemistry of phenol. (2008) (94)
Ab initio characterization of the S1-S2 conical intersection in pyrazine and calculation of spectra (1992) (94)
Nonradiative decay mechanisms of the biologically relevant tautomer of guanine. (2008) (93)
Photophysics of organic photostabilizers. Ab initio study of the excited-state deactivation mechanisms of 2-(2'-hydroxyphenyl)benzotriazole. (2006) (92)
Theory of vibrationally inelastic electron transport through molecular bridges (2003) (91)
On the vibrational structure in photoelectron spectra by the method of Green's functions (1974) (90)
Modeling of ultrafast electron-transfer dynamics: multi-level Redfield theory and validity of approximations (2001) (89)
The chemical physics of the photostability of life (2006) (89)
Nuclear dynamics in resonant electron-molecule scattering beyond the local approximation: The 2. 3-eV shape resonance in N/sub 2/ (1983) (89)
Ab initio study of excited-state intramolecular proton dislocation in salicylic acid (1998) (87)
S1-S2 Conical intersection and ultrafast S2→S1 Internal conversion in pyrazine (1988) (84)
Intramolecular Hydrogen Bonding in the S1(ππ*) Excited State of Anthranilic Acid and Salicylic Acid: TDDFT Calculation of Excited-State Geometries and Infrared Spectra (2004) (83)
A spherical-box approach to resonances (1980) (81)
Efficient calculation of time- and frequency-resolved four-wave-mixing signals. (2009) (81)
Ab initio study of potential ultrafast internal conversion routes in oxybenzone, caffeic acid, and ferulic acid: implications for sunscreens. (2014) (80)
Theory of the vibrational structure of resonances in electron-molecule scattering (1977) (79)
Analysis of cross peaks in two-dimensional electronic photon-echo spectroscopy for simple models with vibrations and dissipation. (2007) (79)
Optimal control of ultrafast cis-trans photoisomerization of retinal in rhodopsin via a conical intersection. (2005) (77)
Theoretical studies on the femtosecond real‐time measurement of ultrafast electronic decay in polyatomic molecules (1989) (76)
Theoretical investigation of potential energy surfaces relevant for excited-state hydrogen transfer in o-hydroxybenzaldehyde (1994) (75)
Efficient method for the calculation of time- and frequency-resolved four-wave mixing signals and its application to photon-echo spectroscopy. (2005) (73)
Theory of vibronic coupling in linear molecules (1981) (73)
PHOTOPHYSICS OF MALONALDEHYDE : AN AB INITIO STUDY (1999) (73)
THE MULTI-MODE VIBRONIC-COUPLING APPROACH (2004) (73)
Diabatic CASSCF orbitals and wavefunctions (1994) (72)
Molecular mechanisms of the photostability of indigo. (2011) (72)
Complete breakdown of the quasiparticle picture for inner valence electrons (1977) (72)
A comparison of different approaches to the calculation of Franck-Condon factors for polyatomic molecules (1977) (71)
Resonance Raman spectroscopy of the S1 and S2 states of pyrazine: Experiment and first principles calculation of spectra (1995) (71)
Calculation of cross sections for vibrational excitation and dissociative attachment in HCl and DCl beyond the local-complex-potential approximation (1985) (70)
Model studies on femtosecond time-resolved ionization spectroscopy of excited-state vibrational dynamics and vibronic coupling (1991) (69)
The influence of finite lifetime of electronic states on the vibrational structure of molecular electronic spectra (1979) (69)
Local against non-local complex potential in resonant electron-molecule scattering (1981) (69)
Photochemistry of hydrogen-bonded aromatic pairs: Quantum dynamical calculations for the pyrrole–pyridine complex (2008) (69)
On the interpretation of low-energy electron-HCl scattering phenomena (1981) (68)
Mechanism of Photocatalytic Water Splitting with Graphitic Carbon Nitride: Photochemistry of the Heptazine-Water Complex. (2017) (68)
Nuclear dynamics of the H collision complex beyond the local approximation: associative detachment and dissociative attachment to rotationally and vibrationally excited molecules (1998) (68)
Negative shake-up energy in core ionization (1979) (66)
Path‐integral treatment of multi‐mode vibronic coupling (1994) (66)
Efficient excited-state deactivation of the Gly-Phe-Ala tripeptide via an electron-driven proton-transfer process. (2009) (64)
Break-down of the molecular-orbital picture of ionization: CS, PN and P2 (1978) (64)
A many‐body approach to the vibrational structure in molecular electronic spectra. II. Application to nitrogen, carbon monoxide, and formaldehyde (1976) (63)
Vibronic coupling of short‐lived electronic states (1986) (63)
Photoionization-induced dynamics of ammonia: ab initio potential energy surfaces and time-dependent wave packet calculations for the ammonia cation. (2006) (62)
Symmetry Breaking and Non‐Born‐Oppenheimer Effects in Radical Cations (1983) (61)
Green's function calculations on the complete valence ionization spectra of HF, HCl, HBr AND HI (1981) (61)
Strong correlation effects in the ionisation of CS2 (1979) (61)
Vibronic coupling in linear molecules and linear-to-bent transitions: HCN (1979) (60)
Mechanisms of ultrafast excited-state deactivation in adenosine. (2014) (60)
– conical intersection in trans-butadiene: ultrafast dynamics and optical spectra (2000) (59)
Analytic theory of resonances, virtual states and bound states ion electron-molecule scattering and related processes (1981) (59)
Intrinsic and extrinsic plasmon coupling in x-ray photoemission from core states of adsorbed atoms (1977) (59)
Geometric phase effects in the coherent control of the branching ratio of photodissociation products of phenol. (2006) (59)
Inelastic low-energy electron collisions with the HBr and DBr molecules: Experiment and theory (2001) (58)
Relevance of electron-driven proton-transfer processes for the photostability of proteins. (2006) (57)
Ab initio investigation of the multimode dynamical Jahn-Teller effect in the X̃ 2E1g state of the benzene cation (1991) (57)
Photophysics of eumelanin: ab initio studies on the electronic spectroscopy and photochemistry of 5,6-dihydroxyindole. (2007) (57)
Theory of resonance Raman scattering and fluorescence from strongly vibronically coupled excited states of polyatomic molecules (1990) (55)
A 'bottom up', ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs. (2016) (53)
Photoinduced dynamics of the valence states of ethene: A six-dimensional potential-energy surface of three electronic states with several conical intersections (2003) (53)
Photoinduced dynamics of ethene in the N, V, and Z valence states: a six-dimensional nonadiabatic quantum dynamics investigation. (2004) (53)
Comparison of the non-radiative decay mechanisms of 4-pyrimidinone and uracil: an ab initio study. (2010) (53)
Electronic recoil effects in high-energy photoelectron spectroscopy (1978) (53)
Vibrational coherence in ultrafast electron-transfer dynamics of oxazine 1 in N,N-dimethylaniline: simulation of a femtosecond pump-probe experiment (1998) (52)
Photoinduced charge separation in indole–water clusters (2000) (52)
Photodissociation of ozone in the Chappuis band. I. Electronic structure calculations (1997) (51)
A difficult assignment problem (1977) (51)
Ionization potentials of ethylene, allene and butatriene by a green function method (1976) (51)
Photoejection of electrons from pyrrole into an aqueous environment: ab initio results on pyrrole-water clusters (2000) (51)
Multimode vibronic coupling effects in molecules (2009) (50)
High-order expansion of T(2)xt(2) Jahn-Teller potential-energy surfaces in tetrahedral molecules. (2010) (50)
Computational studies of the photophysics of neutral and zwitterionic amino acids in an aqueous environment: tyrosine-(H(2)O)(2) and tryptophan-(H(2)O)(2) clusters. (2009) (49)
Nuclear dynamics in resonant electron-molecule scattering beyond the local approximation: model calculations on dissociative attachment and vibrational excitation (1984) (48)
Multi-mode vibronic coupling with dissipation. Application of the Monte Carlo wavefunction propagation method (1995) (48)
Femtosecond pump-probe spectroscopy of electron-transfer systems: a nonperturbative approach (1997) (48)
Vibronic effects in single molecule conductance: First-principles description and application to benezenealkanethiolates between gold electrodes (2007) (47)
A theoretical photoelectron spectrum of cyanogen by a Green-function method (1975) (46)
Conical intersections involving the dissociative 1πσ* state in 9H-adenine: a quantum chemical ab initio study (2007) (46)
Ab initio studies on the photophysics of guanine tautomers: out-of-plane deformation and NH dissociation pathways to conical intersections. (2008) (46)
Time-dependent quantum wave-packet description of the 1πσ* photochemistry of pyrrole (2004) (45)
Computational investigation of the photoinduced homolytic dissociation of water in the pyridine-water complex. (2013) (45)
Many‐body calculations on molecules with second‐row atoms: H2S and H2CS (1977) (45)
Effects of intense femtosecond pumping on ultrafast electronic-vibrational dynamics in molecular systems with relaxation. (2008) (45)
Vibration-induced narrowing of electron scattering resonances near threshold (1980) (44)
Computational studies of aqueous-phase photochemistry and the hydrated electron in finite-size clusters. (2007) (44)
Singlet-Triplet Inversion in Heptazine and in Polymeric Carbon Nitrides. (2019) (44)
Theoretical analysis of photoinduced H-atom elimination in thiophenol. (2012) (43)
Jahn—Teller effect induced by non-degenerate vibrational modes in cumulenes (1978) (43)
The E?(? + ?) Jahn-Teller effect (1980) (42)
Dissociative electron attachment and vibrational excitation of H 2 by low-energy electrons: Calculations based on an improved nonlocal resonance model (2004) (42)
Model calculation on the pump-probe measurement of ultrafast electronic population decay in polyatomic molecules (1987) (42)
On the interpretation of the photoelectron spectrum of CO chemisorbed on Ni (1975) (42)
Efficient and accurate simulations of two-dimensional electronic photon-echo signals: Illustration for a simple model of the Fenna-Matthews-Olson complex. (2010) (42)
Associative detachment, dissociative attachment, and vibrational excitation of HCl by low-energy electrons (1999) (41)
Photoinduced multi-mode quantum dynamics of pyrrole at the 1πσ*-S0 conical intersections (2007) (40)
The effect of a resonance on vibrational structure in the photoelectron spectrum of acetylene (1981) (40)
Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations. (2014) (39)
Intramolecular electron-transfer dynamics in the inverted regime: quantum mechanical multi-mode model including dissipation (1996) (39)
Proton-Coupled Electron Transfer from Water to a Model Heptazine-Based Molecular Photocatalyst. (2018) (38)
Time- and frequency-resolved fluorescence spectra of nonadiabatic dissipative systems: what photons can tell us. (2005) (38)
Photon energy dependence of satelite line intensity in the photoelectron spectrum of acetylene (1980) (38)
Breakdown of the molecular orbital picture of ionization for inner valence electrons: experimental and theoretical study of H2S and PH3 (1978) (38)
Ultrafast non-adiabatic dynamics of ethylene including Rydberg states (2013) (38)
Jahn-Teller and spin-orbit coupling effects in transition-metal trifluorides (2011) (37)
PHOTOPHYSICALLY RELEVANT POTENTIAL ENERGY FUNCTIONS OF LOW-LYING SINGLET STATES OF BENZENE, PYRIDINE AND PYRAZINE : AN AB INITIO STUDY (1991) (37)
Strong non-condon effects induced by electron correlation: N2O+ (1982) (37)
Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol. (2017) (37)
On the mechanism of rapid non-radiative decay in intramolecularly hydrogen-bonded π systems (1999) (36)
Ab initio investigation of the potential energy surfaces involved in the photophysics of s-trans-1,3-butadiene (2001) (36)
Multimode Jahn–Teller and pseudo-Jahn–Teller coupling effects in the photoelectron spectrum of CH3F (2004) (36)
On the vibrational structure in inner-shell ionization spectra by a many-body approach (1975) (36)
The relativistic E × E Jahn–Teller effect revisited (2006) (35)
Ab initio studies of the photophysics of 2-aminopurine (2006) (35)
Dissipative dynamics at conical intersections: simulations with the hierarchy equations of motion method. (2016) (35)
Femtosecond spectroscopy of ultrafast nonadiabatic excited-state dynamics on the basis of ab initio potential-energy surfaces: the S2 state of pyrazine (1993) (35)
Photocatalytic Water Splitting with the Acridine Chromophore: A Computational Study. (2015) (35)
Theoretical study of vibrational wave-packet dynamics in electron-transfer systems (2004) (35)
Dissociative electron attachment and vibrational excitation of H 2 by low-energy electrons: Calculations based on an improved nonlocal resonance model. II. Vibrational excitation (2006) (35)
Evidence for the need of a non-Born—Oppenheimer description of excited-state hydrogen transfer (1993) (35)
On the controversial assignment of the ionization potentials of formaldehyde (1975) (34)
Vibrational excitation of hydrogen fluoride by low-energy electrons: theory and experiment (2003) (34)
Theory of femtosecond pump–probe spectroscopy of ultrafast internal conversion processes in polyatomic molecules (1990) (34)
Photochemistry of HCl(H2O)4: Cluster Model of the Photodetachment of the Chloride Anion in Water (2003) (33)
Plasmon coupling to core hole excitations in carbon (1974) (33)
Photodissociation of ozone in the Chappuis band. II. Time-dependent wave-packet calculations and interpretation of diffuse vibrational structures (1997) (33)
Jahn-Teller, pseudo-Jahn-Teller, and spin-orbit coupling Hamiltonian of a d electron in an octahedral environment. (2012) (32)
Ionization potentials of HCN and HNC by a Green's function method (1976) (32)
Experimental and Theoretical Evidence for Long-Lived Molecular Hydrogen Anions H 2 and D 2 (2005) (32)
Effect of a dissipative environment on the dynamics at a conical intersection (2000) (32)
Detection of electronic and vibrational coherence effects in electron-transfer systems by femtosecond time-resolved fluorescence spectroscopy: Theoretical aspects (2003) (32)
Jahn-Teller effect for very strong coupling (1980) (31)
Photoinduced oxidation of water in the pyridine-water complex: comparison of the singlet and triplet photochemistries. (2014) (31)
Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine. (2019) (31)
An accurate potential energy function of the H2− ion at large internuclear distances (1984) (31)
Projection-operator approach to potential scattering (1983) (31)
Internal conversion funnel in benzene and pyrazine: adiabatic and diabatic representation (1993) (31)
The sudden-polarization effect and its role in the ultrafast photochemistry of ethene. (2003) (31)
Vibrational State Dependence of the Photoelectron Angular Asymmetry Parameter caused by Vibronic Coupling (1979) (31)
A simple model for the calculation of nonlinear optical response functions and femtosecond time-resolved spectra (2003) (31)
Photophysics of xanthine: computational study of the radiationless decay mechanisms. (2009) (31)
Photochemical mechanisms of radiationless deactivation processes in urocanic acid. (2014) (31)
Biradicalic excited states of zwitterionic phenol-ammonia clusters. (2009) (30)
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. (2016) (30)
On the adequacy of the molecular‐orbital picture for describing ionization processes (1978) (30)
Vibronic effects on resonant electron conduction through single molecule junctions (2006) (30)
Theory of vibrational relaxation processes in resonant collisions of low-energy electrons with large molecules (1998) (30)
Mechanisms of photostability in kynurenines: a joint electronic-structure and dynamics study. (2015) (29)
Charge transport through a flexible molecular junction (2004) (29)
Ab initio study of the amino group twisting and wagging reaction paths in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile (1999) (29)
Electron scattering in cooled HCl: boomerang structures and outer-well resonances in elastic and vibrational excitation cross sections (2000) (29)
Signatures of conical intersections in two-dimensional electronic spectra (2014) (29)
Simulation of femtosecond two-dimensional electronic spectra of conical intersections. (2015) (29)
A multi-sheeted three-dimensional potential-energy surface for the H-atom photodissociation of phenol. (2013) (29)
Role of excited-state hydrogen detachment and hydrogen-transfer processes for the excited-state deactivation of an aromatic dipeptide: N-acetyl tryptophan methyl amide. (2010) (29)
Projection-operator calculations for shape resonances: A new method based on the many-body optical-potential approach (1984) (28)
Threshold phenomena in electron-molecule scattering: a non-adiabatic theory (1979) (28)
Relativistic Jahn-Teller effect in tetrahedral systems (2010) (28)
Theoretical investigation of Jahn-Teller and pseudo-Jahn-Teller interactions in the ammonia cation (2003) (28)
Photochemistry of 2-Aminooxazole, a Hypothetical Prebiotic Precursor of RNA Nucleotides (2013) (28)
Ab initio study of dynamical E × e Jahn-Teller and spin-orbit coupling effects in the transition-metal trifluorides TiF3, CrF3, and NiF3. (2012) (27)
Photoinduced electron and proton transfer in the hydrogen-bonded pyridine-pyrrole system. (2007) (27)
High-order expansion of T2×e Jahn–Teller potential-energy surfaces in tetrahedral systems (2010) (27)
Model studies on the time-resolved measurement of excited-state vibrational dynamics and vibronic coupling (1988) (27)
Peptide deactivation: Spectroscopy meets theory. (2013) (27)
Photoinduced water splitting via benzoquinone and semiquinone sensitisation. (2015) (26)
Photophysics of the Trp-Gly Dipeptide: Role of Electron and Proton Transfer Processes for Efficient Excited-State Deactivation (2009) (26)
Ionization potentials and vibrational structure in photoelectron spectra by a Green’s function method: trans‐HNNH, cis‐HNNH, and 1,1‐dihydrodiazine (H2NN) (1977) (25)
Time- and frequency-gated spontaneous emission as a tool for studying vibrational dynamics in the excited state (2002) (25)
Relativistic E x T Jahn-Teller effect in tetrahedral systems. (2008) (25)
The relativistic Renner–Teller effect revisited (2004) (25)
Solar Energy Harvesting with Carbon Nitrides and N-Heterocyclic Frameworks: Do We Understand the Mechanism? (2018) (25)
Manipulating electronic couplings and nonadiabatic nuclear dynamics with strong laser pulses. (2009) (24)
Photochemistry of water: the (H2O)5 cluster. (2005) (24)
The Jahn-Teller effect in NH3 + (1978) (24)
Path-integral treatment of multi-mode vibronic coupling. II. Correlation expansion of class averages (1995) (24)
Analysis of the Jahn-Teller effect in then p2E′ Rydberg series of H3 and D3 (1990) (24)
On the virtual-state effect in low-energy electron-CO2 scattering (1985) (24)
Photoinduced water splitting with oxotitanium porphyrin: a computational study. (2012) (24)
Bath-induced correlations and relaxation of vibronic dimers. (2012) (24)
Many-body calculation of electron affinities: C2 and a prediction for P2 (1977) (23)
A new method for the calculation of two-pulse time- and frequency-resolved spectra (2005) (23)
Calculation of the HeI photoelectron spectrum of CS including satellite lines (1976) (23)
Anionic water clusters with large vertical electron binding energies and their electronic spectra: (H2O)11- and (H2O)14- (2003) (23)
Quantum dynamics of electron-transfer reactions: photoinduced intermolecular electron transfer in a porphyrin–quinone complex (2012) (23)
Calculation of third-order signals via driven Schrödinger equations: General results and application to electronic 2D photon echo spectroscopy (2013) (23)
Analysis of vibrational coherences in homodyne and two-dimensional heterodyne photon-echo spectra of Nile Blue (2007) (23)
Coherent vibrational dynamics during ultrafast photoinduced electron-transfer reactions: quantum dynamical simulations within multilevel Redfield theory (2004) (23)
Complete breakdown of the quasiparticle picture for inner-valence electrons: Hydrogen cyanide and formic acid (1978) (22)
Two-mode jahn-teller effect in nh+3 (1980) (22)
An analogue to koopmans' theorem for the problem of vibrational structure in electron detachment spectra (1974) (22)
Efficient calculation of the polarization induced by N coherent laser pulses. (2009) (22)
A simple formula for the vibrational structure of resonances in electron-molecule scattering (1977) (22)
Multidimensional dynamics involving a conical intersection: Wavepacket calculations using the MCTDH method (2004) (22)
On the valence shell binding energy spectrum of carbonyl sulphide (1981) (22)
Role of vibrational energy relaxation in the photoinduced nonadiabatic dynamics of pyrrole at the 1πσ∗–S0 conical intersection (2008) (22)
Dynamical calculation of satellite intensities (1980) (22)
Generalized diatomics-in-molecules method for polyatomic anions (2001) (22)
Electron attachment and vibrational excitation in hydrogen iodide: calculations based on the nonlocal resonance model (1997) (22)
Spin-orbit vibronic coupling in 3Pi states of linear triatomic molecules. (2007) (22)
Mechanism of photocatalytic water splitting with triazine-based carbon nitrides: insights from ab initio calculations for the triazine-water complex. (2018) (21)
Relativistic T × T and T × E Jahn–Teller coupling in tetrahedral systems (2010) (21)
Theory of femtosecond coherent double-pump single-molecule spectroscopy: Application to light harvesting complexes. (2015) (21)
Molecular-dynamics simulations of solvent effects in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile (2000) (21)
Quantum dynamical simulations of ultrafast photoinduced electron-transfer processes (2004) (21)
Time-dependent quantum wave-packet description of the 1πσ* photochemistry of phenol (2005) (20)
Analysis of the ambiguities in the definition of the local complex potential in resonant electron-molecule scattering (1983) (20)
Photoinduced Proton Transfer as a Possible Mechanism for Highly Efficient Excited-State Deactivation in Proteins (2010) (20)
Time-resolved spontaneous emission beyond the doorway–window approximation (2004) (20)
Recursive evaluation of the real-time path integral for dissipative systems. The spin-boson model (1995) (20)
Surface-hopping-induced femtosecond vibrational dephasing in strongly vibronically coupled systems (1989) (20)
Photodissociation of ozone in the Chappuis band. III. Product state distributions (1998) (19)
Simulation of the photodetachment spectrum of the pyrrolide anion (2006) (19)
Interpolation of multi-sheeted multi-dimensional potential-energy surfaces via a linear optimization procedure. (2013) (19)
Remarkable impact of intermode couplings on multimode vibronic dynamics: the photoelectron spectrum of CH3F. (2005) (19)
X̃2AG—Ã 2B1g conical intersection in the pyrazine cation and its effect on the photoelectron spectrum (1993) (19)
Spectroscopic effects of first-order relativistic vibronic coupling in linear triatomic molecules. (2005) (19)
Analytic theory of resonances and bound states near Coulomb thresholds (1983) (19)
First-principles study of photoinduced electron-transfer dynamics in a Mg–porphyrin–quinone complex (2010) (19)
Multimode quantum dynamics with multiple Davydov D2 trial states: Application to a 24-dimensional conical intersection model. (2019) (19)
Radiative electron-attachment spectra of O3 and SO2 (1977) (19)
Electronically excited states and photochemical reaction mechanisms of β-glucose. (2014) (19)
Interpretation of the photoelectron spectrum of N2O4 (1978) (19)
Analytic properties of the S matrix for a simple model of fixed-nuclei electron-polar-molecule scattering (1984) (19)
Strong-pump strong-probe spectroscopy: effects of higher excited electronic states. (2013) (18)
Effective single-mode Hamiltonian for the calculation of multi-mode Jahn-Teller band shapes (1980) (18)
Simulation of femtosecond "double-slit" experiments for a chromophore in a dissipative environment. (2013) (18)
Strong and Long Makes Short: Strong-Pump Strong-Probe Spectroscopy. (2011) (18)
Mechanism of Photocatalytic Water Oxidation by Graphitic Carbon Nitride. (2018) (18)
Optical N-wave-mixing spectroscopy with strong and temporally well-separated pulses: the doorway-window representation. (2011) (18)
Are Heptazine-Based Organic Light-Emitting Diode Chromophores Thermally Activated Delayed Fluorescence or Inverted Singlet-Triplet Systems? (2021) (18)
Excited-State Deactivation of Adenine by Electron-Driven Proton-Transfer Reactions in Adenine-Water Clusters: A Computational Study. (2016) (17)
The (E + A) × (e + a) Jahn-Teller and pseudo-Jahn-Teller Hamiltonian including spin-orbit coupling for trigonal systems. (2014) (17)
Theoretical study of the photoelectron spectrum of allene (1992) (17)
Jahn—Teller effect of the 2e2g level of chemisorbed benzene (1991) (17)
Photodissociation dynamics of the pyridinyl radical: Time-dependent quantum wave-packet calculations. (2017) (16)
Calculation of the vibronic structure of the X2Pi photoelectron spectra of XCN, X=F, Cl, and Br. (2006) (16)
Photochemistry of Mcl(H2O)4, M = H, Li, Na clusters: finite-size models of the photodetachment of the chloride anion in salt solutions. (2005) (16)
Multi-faceted spectroscopic mapping of ultrafast nonadiabatic dynamics near conical intersections: A computational study. (2020) (16)
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 (1992) (16)
Resonances in molecular photoionization. III. Multichannel extension and application to polyatomic molecules (1988) (16)
Long-lived anionic states of H2, HD, D2, and T2 (2007) (16)
Model studies on femtosecond spectroscopy of multidimensional photoisomerization and internal-conversion dynamics. A nonperturbative approach (1994) (16)
Exact quantum master equation for a molecular aggregate coupled to a harmonic bath. (2011) (16)
Resonances and Threshold Phenomena in Low-Energy Electron Collisions with Hydrogen Halides: New Experimental and Theoretical Results (2002) (16)
Resonant Femtosecond Stimulated Raman Spectra: Theory and Simulations. (2016) (15)
Computational model of photocatalytic water splitting. (2008) (15)
Resonances in molecular photoionization. I. Model calculations and analysis of general phenomena (1987) (15)
Relativistic Jahn-Teller effects in the photoelectron spectra of tetrahedral P4, As4, Sb4, and Bi4. (2011) (15)
Molecular mechanisms of the photostability of life. (2010) (15)
The 3E × E, 4E × E and 5E × E Jahn-Teller Hamiltonians of trigonal systems (2008) (14)
Resonances in molecular photoionization. IV. Theory of one‐color and two‐color near‐threshold photoionization of molecules (1988) (14)
Aspects of nuclear dynamics in short-lived negative ion states (1984) (14)
Model study on the real-time detection of ultrafast nonadiabatic dynamics associated with the Wulf-Chappuis bands of ozone (1992) (14)
Unified description of sequential and coherent contributions to time-resolved spontaneous emission signals: generalized doorway–window approach (2004) (14)
Simulation of the resonance Raman spectrum of the hydrated electron in the hydrated-hydronium cluster model (2004) (14)
Photoinduced electron-driven proton transfer from water to an N-heterocyclic chromophore: nonadiabatic dynamics studies for pyridine-water clusters. (2019) (14)
Origin of Unexpectedly Simple Oscillatory Responses in the Excited-State Dynamics of Disordered Molecular Aggregates. (2019) (13)
Ultraviolet photoelectron spectroscopy of gases adsorbed on metal surfaces (1975) (13)
Excited-state deactivation in 8-oxo-deoxyguanosine: comparison between anionic and neutral forms. (2016) (13)
MQDT analysis of radiationless decay rates of autoionizing rydberg states of polyatomic molecules (1989) (13)
Mapping of Wave-Packet Dynamics at Conical Intersections by Time- and Frequency-Resolved Fluorescence Spectroscopy: A Computational Study. (2019) (13)
Generalization of the nonlocal resonance model for low-energy electron collisions with hydrogen halides: the variable threshold exponent (1998) (13)
Study of strong Σ-Π and spin-orbit vibronic coupling effects in linear triatomic molecules (2006) (12)
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. (2011) (12)
Relativistic theory of the Jahn-Teller effect: p-orbitals in tetrahedral and trigonal systems. (2016) (12)
Ab initio study of the energetics of photoinduced electron and proton transfer processes in a bio-inspired model of photochemical water splitting (2009) (12)
Importance of spin-orbit coupling for the assignment of the photodetachment spectra of AuX2- (X=Cl, Br, and I). (2006) (12)
Relativistic Jahn–Teller and pseudo-Jahn–Teller couplings in D2d systems (2012) (12)
Friction and memory effects in the dynamics of short-lived negative ions (1988) (12)
Generalized diatomics-in-molecule method for polyatomics (2009) (11)
Theoretical aspects of femtosecond double-pump single-molecule spectroscopy. II. Strong-field regime. (2017) (11)
Molecular Design of Heptazine-based Photocatalysts: Effect of Substituents on Photocatalytic Efficiency and Photostability. (2020) (11)
Role of Electron-Driven Proton-Transfer Processes in the Ultrafast Deactivation of Photoexcited Anionic 8-oxoGuanine-Adenine and 8-oxoGuanine-Cytosine Base Pairs (2017) (11)
Domain of validity of the perturbative approach to femtosecond optical spectroscopy. (2013) (11)
Analysis of transient-absorption pump-probe signals of nonadiabatic dissipative systems: "Ideal" and "real" spectra. (2019) (11)
Ab Initio Studies on the Radiationless Decay Mechanisms of the Lowest Excited Singlet States of 9 H-Adenine (11)
Ab Initio Surface-Hopping Simulation of Femtosecond Transient-Absorption Pump-Probe Signals of Nonadiabatic Excited-State Dynamics Using the Doorway-Window Representation. (2021) (11)
Theoretical investigation of vibronic-coupling and ultrafast internal-conversion dynamics in the acetylene cation (2001) (11)
Enhanced S2 Fluorescence from a Free-Base Tetraphenylporphyrin Surface-Mounted Metal Organic Framework (2018) (11)
Jahn-Teller effect in Rydberg series: a multi-state vibronic coupling problem (1990) (11)
Development of an effective single-electron model of the electronic structure of hydronium and hydronium–water clusters (2002) (10)
A study of spin–orbit vibronic-coupling effects in the A∼3Π state of CCX (X = O, S, Se) and CNY (Y = N, P, As) (2007) (10)
Conical-Intersection Topographies Suggest That Ribose Exhibits Enhanced UV Photostability. (2016) (10)
Spin–Orbit Vibronic Coupling in Jahn–Teller and Renner Systems (2009) (10)
Jahn–Teller coupling in Rydberg series of benzene (1991) (10)
Photocatalytic water splitting with acridine dyes: Guidelines from computational chemistry (2016) (10)
Alternative view of two-dimensional spectroscopy. (2016) (10)
Theory, computation and experiment (2011) (9)
Isotope effects in vibrational excitation and dissociative electron attachment of DCl and DBr (2005) (9)
Generalized diatomics-in-molecule method applied to the H3- anion (2006) (9)
State-specific tunneling lifetimes from classical trajectories: H-atom dissociation in electronically excited pyrrole. (2016) (9)
Vibronic Dynamics in Polyatomic Molecules (2002) (9)
Barrierless Heptazine-Driven Excited State Proton-Coupled Electron Transfer: Implications for Controlling Photochemistry of Carbon Nitrides and Aza-Arenes (2019) (9)
Strong non-adiabatic effects in C2D4+ (1984) (9)
Combined Surface-Hopping, Dyson Orbital, and B-Spline Approach for the Computation of Time-Resolved Photoelectron Spectroscopy Signals: The Internal Conversion in Pyrazine. (2021) (9)
Renner-Teller and spin-orbit vibronic coupling effects in linear triatomic molecules with a half-filled pi shell. (2008) (9)
Control of Excited-State Proton-Coupled Electron Transfer by Ultrafast Pump-Push-Probe Spectroscopy in Heptazine-Phenol Complexes: Implications for Photochemical Water Oxidation (2020) (9)
Systematically improved local complex potential approximation for the dynamics of electron-molecule collision complexes (1993) (9)
Simple recipes for separating excited-state absorption and cascading signals by polarization-sensitive measurements. (2013) (8)
Vibrational excitation of molecules by resonant electron scattering: Theory and application to benzene (1976) (8)
Calculation of the vibronic structure of the photodetachment spectra of CCCl- and CCBr-. (2006) (8)
Jahn-Teller theory beyond the standard model (2013) (8)
Photoinduced hydrogen-transfer reactions in pyridine-water clusters: Insights from excited-state electronic-structure calculations (2018) (8)
Efficient orientational averaging of nonlinear optical signals in multi-chromophore systems. (2017) (8)
Photooxidation of water with heptazine-based molecular photocatalysts: Insights from spectroscopy and computational chemistry. (2020) (8)
Theoretical aspects of femtosecond double-pump single-molecule spectroscopy. I. Weak-field regime. (2017) (8)
Calculation of S-matrix poles using the Schwinger variational principle (1982) (8)
Electronic structure, dynamics & spectroscopy (2004) (7)
Path-integral treatment of the real-time dynamics of few-mode spin-boson models (1995) (7)
Photoinduced water oxidation in pyrimidine-water clusters: a combined experimental and theoretical study. (2020) (7)
Quasistationary upper-well states of E × E Jahn–Teller systems with spin-orbit coupling (2007) (7)
Pump-probe spectroscopy with strong pulses as a tool to enhance weak electronic transitions (2013) (7)
Simulation of Femtosecond Phase-Locked Double-Pump Signals of Individual Light-Harvesting Complexes LH2. (2018) (7)
Computational studies of the photophysics of neutral and zwitterionic glycine in an aqueous environment: The glycine–(H2O)2 cluster (2008) (7)
UV absorption spectra of DNA bases in the 350-190 nm range: assignment and state specific analysis of solvation effects. (2019) (7)
Time-dependent wave-packet dynamics with memory: the electron-HCl collision complex (1994) (7)
Quasiclassical theory of the dynamical E × E Jahn–Teller effect including spin–orbit interaction (2007) (7)
Ab initio Studies of Reaction Paths in Excited-State Hydrogen-Transfer Processes (1995) (6)
Four-channel semiclassical S-matrix for a Σ+–Π–Σ−-type conical intersection in triatomic systems (2002) (6)
Resonant femtosecond stimulated Raman spectroscopy with an intense actinic pump pulse: Application to conical intersections. (2017) (6)
Direct calculation of complex resonance poles in electron-molecule scattering using separable T-matrix expansions (1984) (6)
Chemistry. Unraveling the molecular mechanisms of photoacidity. (2003) (6)
Calculation of dissociative electron attachment and vibrational excitation cross-section of HBr (1995) (6)
Two-channel semiclassical S-matrix for the E × E Jahn–Teller problem including spin–orbit coupling (2006) (6)
Photochemistry of pyrrole: time-dependent quantum wave-packet description of the dynamics at the 1pi sigma*-S0 conical intersections. (2005) (6)
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. (2015) (6)
Simulation of UV absorption spectra and relaxation dynamics of uracil and uracil-water clusters. (2021) (6)
EFFECT OF A THERMAL BATH ON ELECTRONIC RESONANCE DECAY : A NUMERICAL PATH-INTEGRAL STUDY (1998) (6)
Triangular boron carbon nitrides: an unexplored family of chromophores with unique properties for photocatalysis and optoelectronics. (2021) (6)
Nonperturbative response functions: A tool for the interpretation of four-wave-mixing signals beyond third order. (2017) (6)
REAL-TIME PATH-INTEGRAL APPROACH FOR GENERAL TWO-STATE MULTI-MODE VIBRONIC-COUPLING MODELS (1996) (5)
On Green’s Function Methods for the Study of Ionic States in Atoms and Molecules (1978) (5)
Analytic expressions for the matrix elements of the morse green function with morse wavefunctions (1986) (5)
Resonance Raman spectrum of the solvated electron in methanol: simulation within a cluster model. (2006) (5)
Orientational relaxation of a quantum linear rotor in a dissipative environment: Simulations with the hierarchical equations-of-motion method. (2019) (4)
Vibronic coupling in Rydberg series of linear molecules (1991) (4)
Femtosecond stimulated Raman spectroscopy as a tool to detect molecular vibrations in ground and excited electronic states. (2016) (4)
Efficient Excited‐State Deactivation in Organic Chromophores and Biologically Relevant Molecules: Role of Electron and Proton Transfer Processes (2012) (4)
Friction in dissociative attachment (1991) (4)
Vibronic coupling in the pE Rydberg series of NH3 (1993) (4)
Electronic and non-adiabatic dynamics: general discussion. (2016) (4)
Effects of high pulse intensity and chirp in two-dimensional electronic spectroscopy of an atomic vapor. (2020) (4)
E×e Jahn–Teller effect in the P4+ cation and its signatures in the photoelectron spectrum of P4 (2015) (4)
Microscopic derivation of the Keilson–Storer master equation (2015) (4)
Infrared Absorption Spectra of Jahn-Teller Systems: Application to the Transition-Metal Trifluorides MnF3 and NiF3. (2014) (4)
Spin-Orbit Vibronic Coupling in Jahn–Teller Systems (2011) (4)
Potential-energy function for intramolecular proton transfer in the malonaldehyde cation (1999) (4)
Mechanisms of photoreactivity in hydrogen-bonded adenine-H2O complexes. (2019) (4)
Conical Intersections and Ultrafast Radiationless Decay (1987) (4)
A multichannel quantum defect approach to dissociative recombination (2016) (3)
On the photoelectron spectrum of PN (1977) (3)
Can Hydrated Electrons be Produced from Water with Visible Light? (2021) (3)
Synthetic approaches to artificial photosynthesis: general discussion. (2019) (3)
Transient phenomena in time- and frequency-gated spontaneous emission. (2005) (3)
Model study of near-threshold photoionization of large molecules: The effect of vibrational relaxation (1997) (3)
Quasiclassical quantization of the four-state vibronic problem associated with accidentally degenerate Σ+, Π and Σ− states (2003) (3)
A MODEL FOR THE QUANTUM DYNAMICS OF RYDBERG STATES OF LARGE MOLECULES (1995) (3)
Role of the Pyridinyl Radical in the Light-Driven Reduction of Carbon Dioxide: A First-Principles Study. (2019) (3)
Ab Initio Quasiclassical Simulation of Femtosecond Time-Resolved Two-Dimensional Electronic Spectra of Pyrazine. (2021) (3)
Threshold peaks in the vibrational excitation of molecules by electron impact: a time-dependent view (1990) (3)
Ab initio study of the cyclodimerization of uracil through butane-like and oxetane-like conical intersections (2013) (3)
Conical Intersections and Femtosecond Dynamics (1998) (3)
FEMTOSECOND TIME-RESOLVED SPECTROSCOPY OF THE DYNAMICS AT CONICAL INTERSECTIONS (2004) (3)
Theory of resonance and threshold effects in the electronic excitation of molecules by electron impact (1983) (3)
Tracking both ultrafast electrons and nuclei (2020) (3)
Strong static and dynamic Jahn-Teller and pseudo-Jahn-Teller effects in niobium tetrafluoride. (2021) (3)
First-principles study of large-amplitude dynamic Jahn-Teller effects in vanadium tetrafluoride. (2020) (2)
Simulation of resonance Raman spectra of the solvated electron in water and methanol (2006) (2)
Photochemistry of MCl(H2O)4, M: H, Li, Na Clusters: Finite‐Size Models of the Photodetachment of the Chloride Anion in Salt Solutions (2005) (2)
Theoretical study of electron transmission through N2 (1983) (2)
Dynamical Theory of Resonant Electron-Molecule Scattering Near Threshold (1983) (2)
A Nearly Modern Amphibious Bird from the Early Cretaceous of Northwestern China (2006) (2)
Monitoring of Nonadiabatic Effects in Individual Chromophores by Femtosecond Double-Pump Single-Molecule Spectroscopy: A Model Study (2019) (2)
Quasi-classical nonadiabatic transition probability for G3/2 × (t2 + e) Jahn–Teller systems (2015) (2)
AB Initio Reaction Paths and Potential-Energy Functions for Excited-State Intra- and Intermolecular Hydrogen-Transfer Processes (2002) (2)
Efficient Excited-State Deactivation in Organic Chromophores and Biologically Relevant Molecules: Role of Electron and Proton Transfer Processes (2011) (1)
Chemical Reactivity in the Ground and the Excited State (2007) (1)
Mechanism of photoinduced intramolecular charge transfer in aminobenzethynes: an ab initio study (1997) (1)
Ab Initio Nonadiabatic Surface-Hopping Trajectory Simulations of Photocatalytic Water Oxidation and Hydrogen Evolution with the Heptazine Chromophore. (2021) (1)
Time-dependent quantum wave-packet description of the 1pi sigma* photochemistry of pyrrole. (2004) (1)
Cyclodimerization of DNA and RNA Bases: Ab Initio Study of the Cyclodimerization of the Uracil Dimer Through a Butane-Like Conical Intersection (2010) (1)
Shell model theory of elastic scattering of nucleons by deformed nuclei (1973) (1)
Conical intersections involving the dissociative 1pisigma* state in 9H-adenine: a quantum chemical ab initio study. (2007) (1)
Experimental and theoretical evidence for long-lived molecular hydrogen anions H2- and D2-. (2005) (1)
Quantum dynamics with ab initio potentials. (2021) (1)
Vibrational and condensed phase dynamics: general discussion. (2016) (1)
Equation-of-Motion Methods for the Calculation of Femtosecond Time-Resolved 4-Wave-Mixing and N-Wave-Mixing Signals. (2022) (1)
Ab Initio Electronic Structure Study of the Photoinduced Reduction of Carbon Dioxide with the Heptazinyl Radical. (2022) (1)
Optimal control of femtosecond photoisomerization of retinal in rhodopsin: Effects of conical intersections (2004) (1)
Generic Aspects of the Dynamics at Conical Intersections: Internal Conversion, Vibrational Relaxation, and Photoisomerization (2005) (1)
RSC_CP_C001556C 4949..4958 (2010) (0)
Femtosecond Spectroscopy of Non-Adiabatic Photoisomerization Processes: Semiclassical Modeling (1994) (0)
A simple approach for the calculation of femtosecond pump-probe spectra for electronically nonadiabatic systems (2004) (0)
Threshold Phenomena in Electron-Molecule Collisions (1987) (0)
Femtosecond Dynamics at Conical Intersections (2001) (0)
R. Schinke: Photodissociation Dynamics, aus der Reihe: Cambridge Monographs on Atomic, Molecular and Chemical Physics. Cambridge University Press, 1993, ISBN 0-521-38368-4, 417 Seiten, Preis: $ 50,–. (1995) (0)
The analytically continued S matrix for potentials defined as a sum of exponentials. I. The single-channel problem (2017) (0)
Phenomena in Photoelectron Spectroscopy and their Theoretical Calculation (1980) (0)
Jahn‐Teller Coupling in Rydberg Series of Benzene. (1991) (0)
Ab initio trajectory surface-hopping dynamics studies of excited-state proton-coupled electron transfer reactions in trianisoleheptazine-phenol complexes. (2022) (0)
Nonadiabatic Nuclear Dynamics in the Ammonia Cation Studied by the Branching Classical Trajectory Method (2012) (0)
Chapter 62 - Coherences in the time-resolved fluorescence of the TCNE-HMB complex: Simulation versus experiment (2004) (0)
Ab initio Investigation of Potential‐Energy Surfaces Involved in the Photophysics of Benzene and Pyrazine. (1993) (0)
Attosecond processes and X-ray spectroscopy: general discussion. (2016) (0)
Structural dynamics: general discussion. (2016) (0)
PROJECTION OPERATOR CALCULATIONS FOR MOLECULAR SHAPE RESONANCES IN THE OPTICAL POTENTIAL APPROACH (1984) (0)
Femtosecond Spectroscopy of Nonadiabatic Photoisomerization Processes: Semiclassical Modelling (1994) (0)
Modulation of Ultrafast Electron Transfer Dynamics by Wavepacket Motion in Oxazine 1 (1998) (0)
Remark on fixed-molecule high-energy photoelectron angular distributions (1978) (0)
Femtosecond time-resolved ionization spectroscopy of polyatomic molecules (1992) (0)
SYMMETRY BREAKING AND NON-BORN-OPPENHEIMER EFFECTS IN RADICAL CATIONS (1983) (0)
CCX (X = O, S, Se) and CNY (Y = N, P, As) (2007) (0)
Plasmon Nanooptics with Pristine and Hybrid Nanotube Systems (2012) (0)
Cover Feature: Solar Energy Harvesting with Carbon Nitrides and N-Heterocyclic Frameworks: Do We Understand the Mechanism? (ChemPhotoChem 1/2019) (2018) (0)
Photoionization-induced dynamics of ammonia: potential energy surfaces and time-dependent wave packet studies (2008) (0)
A wave packet method for treating nuclear dynamics on complex potentials (2017) (0)
2 D ec 2 00 3 Theory of Vibrationally Inelastic Electron Transport through Molecular (2003) (0)
Efficient Methods for Computation of Ultrafast Time‐ and Frequency‐Resolved Spectroscopic Signals (2011) (0)
Beyond Third-Order Response: Strong-Pulse and N-Wave-Mixing Optical Spectroscopies (2011) (0)
Beyond artificial photosynthesis: general discussion. (2019) (0)
This paper is published as part of a PCCP theme issue series on biophysics and biophysical chemistry: Molecular Mechanisms of the Photostability of Life (2010) (0)
Threshold phenomena in low‐energy electron–polar–molecule collisions: The nonlocal resonance model (2008) (0)
Book reviews (1984) (0)
Solar Energy Harvesting with Carbon Nitrides: Do We Understand the Mechanism? (2018) (0)
Spin-orbit vibronic coupling in Π4 states of linear triatomic molecules. (2019) (0)
The spreading width of rotational doorway states (1973) (0)
Water Oxidation and Hydrogen Evolution with Organic Photooxidants: A Theoretical Perspective. (2022) (0)
On the propensity of formation of cyclobutane dimers in face-to-face and face-to-back uracil stacks in solution. (2022) (0)
Calculation of Cross Sections for Dissociative Attachment and Vibrational Excitation in HCl Beyond the Local Complex Potential Approximation (1984) (0)
Plasmon nanooptics with individual single wall carbon nanotubes (2012) (0)
Reduction of CO2 with Hydrated Electrons: Ab Initio Computational Studies for Finite-Size Cluster Models. (2023) (0)
Visualization of dissipative wavepacket dynamics at conical intersections (2018) (0)
THEORETICAL INVESTIGATION OF SPIN-ORBIT VIBRONIC COUPLING EFFECTS IN THE ELECTRONIC GROUND STATE OF CrCN (2008) (0)
Laser Control of Ultrafast Dynamics at Conical Intersections (2011) (0)
Time and frequency gated spontaneous emission and vibrational dynamics in the excited state (2003) (0)

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Heinrich Heine University Düsseldorf
Technical University of Munich
University of Zurich
Heidelberg University

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