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1–2 conical intersection in trans-butadiene: ultrafast dynamics and optical spectra

Chemical physics letters, 2000-04, Vol.320 (5-6), p.535-541

2000

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The 3E × E, 4E × E and 5E × E Jahn–Teller Hamiltonians of trigonal systems

Chemical physics, 2008-09, Vol.352 (1), p.125-134

2008

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Ab initio characterization of the conical intersections involved in the photochemistry of phenol

The Journal of chemical physics, 2008-12, Vol.129 (22), p.224307-224307

2008

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Ab initio characterization of the conical intersections involvedin the photochemistry of phenol

The Journal of chemical physics, 2008-12, Vol.129 (22), p.224307-224307-10

2008

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Ab Initio Electronic Structure Study of the Photoinduced Reduction of Carbon Dioxide with the Heptazinyl Radical

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-05, Vol.126 (18), p.2778-2787

2022

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Ab initio investigation of the potential energy surfaces involved in the photophysics of s- trans-1,3-butadiene

Chemical physics, 2001-07, Vol.269 (1), p.1-10

2001

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Ab Initio Investigation of the Structure and Spectroscopy of Hydronium−Water Clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-04, Vol.106 (16), p.4158-4167

2002

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Ab initio investigations on the photophysics of indole

Chemical physics letters, 1999-12, Vol.315 (3), p.293-298

1999

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Ab Initio Nonadiabatic Surface-Hopping Trajectory Simulations of Photocatalytic Water Oxidation and Hydrogen Evolution with the Heptazine Chromophore

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-11, Vol.125 (45), p.9917-9931

2021

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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 : PCCP, 1999, Vol.1 (13), p.3065-3072

1999

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Ab Initio Quasiclassical Simulation of Femtosecond Time-Resolved Two-Dimensional Electronic Spectra of Pyrazine

The journal of physical chemistry letters, 2021-12, Vol.12 (48), p.11736-11744

2021

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Ab Initio Studies on the Photophysics of Guanine Tautomers: Out-of-Plane Deformation and NH Dissociation Pathways to Conical Intersections

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-07, Vol.112 (30), p.7090-7097

2008

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Ab initio studies on the photophysics of the guanine-cytosine base pair

Physical chemistry chemical physics : PCCP, 2004-05, Vol.6 (10), p.2763-2771

2004

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Ab Initio Studies on the Radiationless Decay Mechanisms of the Lowest Excited Singlet States of 9H-Adenine

Journal of the American Chemical Society, 2005-05, Vol.127 (17), p.6257-6265

2005

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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

The Journal of chemical physics, 2012-02, Vol.136 (8), p.084308-084308-12

2012

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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, 2012-02, Vol.136 (8), p.084308-084308

2012

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Ab initio study of excited-state intramolecular proton dislocation in salicylic acid

Chemical physics, 1998-07, Vol.232 (3), p.257-265

1998

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Ab Initio Study of Potential Ultrafast Internal Conversion Routes in Oxybenzone, Caffeic Acid, and Ferulic Acid: Implications for Sunscreens

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-12, Vol.118 (51), p.11999-12010

2014

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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, 1999, Vol.240 (1), p.9-18

1999

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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, 2009-09, Vol.479 (1), p.144-148

2009

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Ab initio study of the excited-state coupled electron–proton-transfer process in the 2-aminopyridine dimer

Chemical physics, 2003-10, Vol.294 (1), p.73-83

2003

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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, 2021-04, Vol.17 (4), p.2394-2408

2021

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Ab initio trajectory surface-hopping dynamics studies of excited-state proton-coupled electron transfer reactions in trianisoleheptazine–phenol complexes

Physical chemistry chemical physics : PCCP, 2022-07, Vol.24 (26), p.15925-15936

2022

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Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol

The Journal of chemical physics, 2017-11, Vol.147 (18), p.184114-184114

2017

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Advances in Chemical Physics, Volume 100

1, 1997

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1–2 conical intersection in trans-butadiene: ultrafast dynamics and optical spectra

The 3E × E, 4E × E and 5E × E Jahn–Teller Hamiltonians of trigonal systems

Ab initio characterization of the conical intersections involved in the photochemistry of phenol

Ab initio characterization of the conical intersections involvedin the photochemistry of phenol

Ab Initio Electronic Structure Study of the Photoinduced Reduction of Carbon Dioxide with the Heptazinyl Radical

Ab initio investigation of the potential energy surfaces involved in the photophysics of s- trans-1,3-butadiene

Ab Initio Investigation of the Structure and Spectroscopy of Hydronium−Water Clusters

Ab initio investigations on the photophysics of indole

Ab Initio Nonadiabatic Surface-Hopping Trajectory Simulations of Photocatalytic Water Oxidation and Hydrogen Evolution with the Heptazine Chromophore

Ab initio potential-energy functions for excited state intramolecular proton transfer : a comparative study of o-hydroxybenzaldehyde, salicylic acid and 7-hydroxy-1-indanone

Ab Initio Quasiclassical Simulation of Femtosecond Time-Resolved Two-Dimensional Electronic Spectra of Pyrazine

Ab Initio Studies on the Photophysics of Guanine Tautomers: Out-of-Plane Deformation and NH Dissociation Pathways to Conical Intersections

Ab initio studies on the photophysics of the guanine-cytosine base pair

Ab Initio Studies on the Radiationless Decay Mechanisms of the Lowest Excited Singlet States of 9H-Adenine

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

Ab initio study of dynamical E × e Jahn-Teller and spin-orbit coupling effects in the transition-metal trifluorides TiF3, CrF3, and NiF3

Ab initio study of excited-state intramolecular proton dislocation in salicylic acid

Ab Initio Study of Potential Ultrafast Internal Conversion Routes in Oxybenzone, Caffeic Acid, and Ferulic Acid: Implications for Sunscreens

Ab initio study of the amino group twisting and wagging reaction paths in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile

Ab initio study of the energetics of photoinduced electron and proton transfer processes in a bio-inspired model of photochemical water splitting

Ab initio study of the excited-state coupled electron–proton-transfer process in the 2-aminopyridine dimer

Ab Initio Surface-Hopping Simulation of Femtosecond Transient-Absorption Pump–Probe Signals of Nonadiabatic Excited-State Dynamics Using the Doorway–Window Representation

Ab initio trajectory surface-hopping dynamics studies of excited-state proton-coupled electron transfer reactions in trianisoleheptazine–phenol complexes

Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol

Advances in Chemical Physics, Volume 100

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