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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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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 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 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 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 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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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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Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine

The Journal of chemical physics, 2019-04, Vol.150 (15), p.154119-154119

2019

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A 'bottom up', ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (30), p.20007-20027

2016

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The chemical physics of the photostability of life

Europhysics news, 2006-07, Vol.37 (4), p.20-23

2006

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Comparison of the non-radiative decay mechanisms of 4-pyrimidinone and uracil: an ab initio study

Physical chemistry chemical physics : PCCP, 2010-01, Vol.12 (19), p.5007-5015

2010

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Computational investigation of the photoinduced homolytic dissociation of water in the pyridine-water complex

Physical chemistry chemical physics : PCCP, 2013-04, Vol.15 (16), p.5957-5966

2013

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Computational studies of aqueous-phase photochemistry and the hydrated electron in finite-size clusters

Physical chemistry chemical physics : PCCP, 2007-01, Vol.9 (29), p.3818-3829

2007

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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, 2010-01, Vol.132 (1), p.014501-014501-10

2010

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Femtosecond time-resolved ionization spectroscopy of ultrafast internal-conversion dynamics in polyatomic molecules : theory and computational studies

The Journal of chemical physics, 1991-12, Vol.95 (11), p.7806-7822

1991

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Geometric phase effects in the coherent control of the branching ratio of photodissociation products of phenol

The Journal of chemical physics, 2006-06, Vol.124 (22), p.224316-224316

2006

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Modeling of ultrafast electron-transfer processes: Validity of multilevel Redfield theory

The Journal of chemical physics, 2003-08, Vol.119 (5), p.2761-2773

2003

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Molecular mechanisms of the photostability of indigo

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (4), p.1618-1628

2011

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Multi-faceted spectroscopic mapping of ultrafast nonadiabatic dynamics near conical intersections: A computational study

The Journal of chemical physics, 2020-11, Vol.153 (17), p.174111-174111

2020

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Multilevel Redfield description of the dissipative dynamics at conical intersections

The Journal of chemical physics, 2002-01, Vol.116 (1), p.263-274

2002

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Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations

The Journal of chemical physics, 2015-03, Vol.142 (10), p.104307-104307

2015

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Optimal control of ultrafast cis-trans photoisomerization of retinal in rhodopsin via a conical intersection

The Journal of chemical physics, 2005-10, Vol.123 (14), p.144508-144508

2005

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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, 2005-03, Vol.7 (5), p.970

2005

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Photochemistry of water: the (H2O)5 cluster

The Journal of chemical physics, 2005-05, Vol.122 (18), p.184320-184320

2005

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Photodissociation dynamics of the pyridinyl radical: Time-dependent quantum wave-packet calculations

The Journal of chemical physics, 2017-03, Vol.146 (12), p.124304-124304

2017

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

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

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 studies on the photophysics of the guanine-cytosine base pair

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 the excited-state coupled electron–proton-transfer process in the 2-aminopyridine dimer

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

Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine

A 'bottom up', ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs

The chemical physics of the photostability of life

Comparison of the non-radiative decay mechanisms of 4-pyrimidinone and uracil: an ab initio study

Computational investigation of the photoinduced homolytic dissociation of water in the pyridine-water complex

Computational studies of aqueous-phase photochemistry and the hydrated electron in finite-size clusters

Efficient and accurate simulations of two-dimensional electronic photon-echo signals: Illustration for a simple model of the Fenna-Matthews-Olson complex

Femtosecond time-resolved ionization spectroscopy of ultrafast internal-conversion dynamics in polyatomic molecules : theory and computational studies

Geometric phase effects in the coherent control of the branching ratio of photodissociation products of phenol

Modeling of ultrafast electron-transfer processes: Validity of multilevel Redfield theory

Molecular mechanisms of the photostability of indigo

Multi-faceted spectroscopic mapping of ultrafast nonadiabatic dynamics near conical intersections: A computational study

Multilevel Redfield description of the dissipative dynamics at conical intersections

Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations

Optimal control of ultrafast cis-trans photoisomerization of retinal in rhodopsin via a conical intersection

Photochemistry of Mcl(H2O)4, M = H, Li, Na clusters: finite-size models of the photodetachment of the chloride anion in salt solutions

Photochemistry of water: the (H2O)5 cluster

Photodissociation dynamics of the pyridinyl radical: Time-dependent quantum wave-packet calculations

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