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Photoinduced electron-driven proton transfer from water to an N-heterocyclic chromophore: nonadiabatic dynamics studies for pyridine-water clusters

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (26), p.1473-1479

2019

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UV absorption spectra of DNA bases in the 350-190 nm range: assignment and state specific analysis of solvation effects

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (41), p.22782-22793

2019

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Simulation of UV absorption spectra and relaxation dynamics of uracil and uracil-water clusters

Physical chemistry chemical physics : PCCP, 2021-02, Vol.23 (4), p.2594-264

2021

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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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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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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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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 - PNAS, 2005-12, Vol.102 (50), p.17903-17906

2005

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Photoinduced water oxidation in pyrimidine-water clusters: a combined experimental and theoretical study

Physical chemistry chemical physics : PCCP, 2020-06, Vol.22 (22), p.1252-12514

2020

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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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Efficient Deactivation of a Model Base Pair via Excited-State Hydrogen Transfer

Science (American Association for the Advancement of Science), 2004-12, Vol.306 (5702), p.1765-1768

2004

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Theoretical aspects of femtosecond double-pump single-molecule spectroscopy. II. Strong-field regime

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (48), p.3237-32319

2017

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A multi-sheeted three-dimensional potential-energy surface for the H-atom photodissociation of phenol

Faraday discussions, 2013-01, Vol.163, p.73-94

2013

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Monitoring of Nonadiabatic Effects in Individual Chromophores by Femtosecond Double-Pump Single-Molecule Spectroscopy: A Model Study

Molecules (Basel, Switzerland), 2019-01, Vol.24 (2), p.231

2019

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Photoinduced water splitting via benzoquinone and semiquinone sensitisation

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (48), p.32183-32193

2015

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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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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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Unraveling the Molecular Mechanisms of Photoacidity

Science (American Association for the Advancement of Science), 2003-12, Vol.302 (5651), p.1693-1694

2003

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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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Role of Electron-Driven Proton-Transfer Processes in the Ultrafast Deactivation of Photoexcited Anionic 8-oxoGuanine-Adenine and 8-oxoGuanine-Cytosine Base Pairs

Molecules (Basel, Switzerland), 2017-01, Vol.22 (1), p.135-135

2017

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Photochemistry of hydrogen-bonded aromatic pairs: Quantum dynamical calculations for the pyrrole-pyridine complex

Proceedings of the National Academy of Sciences - PNAS, 2008-09, Vol.105 (35), p.12707-12712

2008

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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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The chemical physics of the photostability of life

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

2006

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Photophysics of xanthine: computational study of the radiationless decay mechanisms

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (43), p.10165-10174

2009

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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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Excited-state deactivation in 8-oxo-deoxyguanosine: comparison between anionic and neutral forms

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (2), p.947-955

2016

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Photoinduced electron-driven proton transfer from water to an N-heterocyclic chromophore: nonadiabatic dynamics studies for pyridine-water clusters

UV absorption spectra of DNA bases in the 350-190 nm range: assignment and state specific analysis of solvation effects

Simulation of UV absorption spectra and relaxation dynamics of uracil and uracil-water clusters

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

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

Molecular mechanisms of the photostability of indigo

Tautomeric Selectivity of the Excited-State Lifetime of Guanine/Cytosine Base Pairs: The Role of Electron-Driven Proton-Transfer Processes

Photoinduced water oxidation in pyrimidine-water clusters: a combined experimental and theoretical study

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

Efficient Deactivation of a Model Base Pair via Excited-State Hydrogen Transfer

Theoretical aspects of femtosecond double-pump single-molecule spectroscopy. II. Strong-field regime

A multi-sheeted three-dimensional potential-energy surface for the H-atom photodissociation of phenol

Monitoring of Nonadiabatic Effects in Individual Chromophores by Femtosecond Double-Pump Single-Molecule Spectroscopy: A Model Study

Photoinduced water splitting via benzoquinone and semiquinone sensitisation

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

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

Unraveling the Molecular Mechanisms of Photoacidity

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

Role of Electron-Driven Proton-Transfer Processes in the Ultrafast Deactivation of Photoexcited Anionic 8-oxoGuanine-Adenine and 8-oxoGuanine-Cytosine Base Pairs

Photochemistry of hydrogen-bonded aromatic pairs: Quantum dynamical calculations for the pyrrole-pyridine complex

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

The chemical physics of the photostability of life

Photophysics of xanthine: computational study of the radiationless decay mechanisms

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

Excited-state deactivation in 8-oxo-deoxyguanosine: comparison between anionic and neutral forms

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