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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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Role of conical intersections in molecular spectroscopy and photoinduced chemical dynamics

Annual review of physical chemistry, 2012-01, Vol.63 (1), p.325-352

2012

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Quantum dynamics with ab initio potentials

The Journal of chemical physics, 2021-08, Vol.155 (8), p.080401-080401

2021

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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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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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Multimode quantum dynamics with multiple Davydov D2 trial states: Application to a 24-dimensional conical intersection model

The Journal of chemical physics, 2019-01, Vol.150 (2), p.024101-024101

2019

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Photooxidation of water with heptazine-based molecular photocatalysts: Insights from spectroscopy and computational chemistry

The Journal of chemical physics, 2020-09, Vol.153 (10), p.100902-100902

2020

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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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Mechanisms of Ultrafast Excited-State Deactivation in Adenosine

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-01, Vol.118 (1), p.122-127

2014

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Analysis of transient-absorption pump-probe signals of nonadiabatic dissipative systems: “Ideal” and “real” spectra

The Journal of chemical physics, 2019-05, Vol.150 (20), p.204102-204102

2019

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Alternative view of two-dimensional spectroscopy

The Journal of chemical physics, 2016-05, Vol.144 (19), p.194104-194104

2016

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Orientational relaxation of a quantum linear rotor in a dissipative environment: Simulations with the hierarchical equations-of-motion method

The Journal of chemical physics, 2019-07, Vol.151 (3), p.034101-034101

2019

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Theory of femtosecond coherent double-pump single-molecule spectroscopy: Application to light harvesting complexes

The Journal of chemical physics, 2015-04, Vol.142 (16), p.164106-164106

2015

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Simulation of femtosecond two-dimensional electronic spectra of conical intersections

The Journal of chemical physics, 2015-08, Vol.143 (7), p.074308-074308

2015

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Proton-Coupled Electron Transfer from Water to a Model Heptazine-Based Molecular Photocatalyst

The journal of physical chemistry letters, 2018-11, Vol.9 (21), p.6257-6261

2018

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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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Mapping of Wave Packet Dynamics at Conical Intersections by Time- and Frequency-Resolved Fluorescence Spectroscopy: A Computational Study

The journal of physical chemistry letters, 2019-10, Vol.10 (19), p.5873-5880

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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Spin-orbit vibronic coupling in Π4 states of linear triatomic molecules

The Journal of chemical physics, 2019-10, Vol.151 (13), p.134103-134103

2019

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Strong static and dynamic Jahn–Teller and pseudo-Jahn–Teller effects in niobium tetrafluoride

The Journal of chemical physics, 2021-03, Vol.154 (12), p.124305-124305

2021

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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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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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Relativistic theory of the Jahn-Teller effect: p-orbitals in tetrahedral and trigonal systems

The Journal of chemical physics, 2016-03, Vol.144 (12), p.124101-124101

2016

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

Role of conical intersections in molecular spectroscopy and photoinduced chemical dynamics

Quantum dynamics with ab initio potentials

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

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

Multimode quantum dynamics with multiple Davydov D2 trial states: Application to a 24-dimensional conical intersection model

Photooxidation of water with heptazine-based molecular photocatalysts: Insights from spectroscopy and computational chemistry

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

Mechanisms of Ultrafast Excited-State Deactivation in Adenosine

Analysis of transient-absorption pump-probe signals of nonadiabatic dissipative systems: “Ideal” and “real” spectra

Alternative view of two-dimensional spectroscopy

Orientational relaxation of a quantum linear rotor in a dissipative environment: Simulations with the hierarchical equations-of-motion method

Theory of femtosecond coherent double-pump single-molecule spectroscopy: Application to light harvesting complexes

Simulation of femtosecond two-dimensional electronic spectra of conical intersections

Proton-Coupled Electron Transfer from Water to a Model Heptazine-Based Molecular Photocatalyst

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

Mapping of Wave Packet Dynamics at Conical Intersections by Time- and Frequency-Resolved Fluorescence Spectroscopy: A Computational Study

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

Spin-orbit vibronic coupling in Π4 states of linear triatomic molecules

Strong static and dynamic Jahn–Teller and pseudo-Jahn–Teller effects in niobium tetrafluoride

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

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

Relativistic theory of the Jahn-Teller effect: p-orbitals in tetrahedral and trigonal systems

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

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

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