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Vibronic Coupling and Excitation Transfer in Hydrogen-Bonded Molecular Dimers: A Quantum Dynamical Analysis

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-07, Vol.123 (26), p.5491-5503

2019

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On the Fluorescence Properties and Nonradiative Transitions in Medium-Sized All-Trans Polyenes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-10, Vol.127 (41), p.8501-8507

2023

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Photoelectron Spectrum and Dynamics of the Uracil Cation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-02, Vol.119 (5), p.866-875

2015

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Excited state dynamics of the s-trans-1, 3-butadiene cation: An ab initio quantum dynamical analysis

The Journal of chemical physics, 2019-09, Vol.151 (10)

2019

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Excitonic Splitting and Vibronic Coupling Analysis of the m‑Cyanophenol Dimer

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-01, Vol.121 (1), p.73-87

2017

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Photoinduced Isomerization of the Photoactive Yellow Protein (PYP) Chromophore: Interplay of Two Torsions, a HOOP Mode and Hydrogen Bonding

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-08, Vol.115 (33), p.9237-9248

2011

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Theoretical Investigations on Heteronuclear Chalcogen−Chalcogen Interactions: On the Nature of Weak Bonds between Chalcogen Centers

Inorganic chemistry, 2007-03, Vol.46 (6), p.2249-2260

2007

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Theoretical analysis of the S2←S0 vibronic spectrum of the 2-pyridone dimer

The Journal of chemical physics, 2016-01, Vol.144 (2), p.024314-024314

2016

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Nonadiabatic photodynamics and UV absorption spectrum of all-trans-octatetraene

Physical chemistry chemical physics : PCCP, 2017-02, Vol.19 (5), p.3937-3947

2017

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Fully quantal treatment of nonadiabatic molecular photodynamics: General considerations and application to the benzene cation

Computational and theoretical chemistry, 2019-02, Vol.1150, p.71-84

2019

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Vibrational quenching of excitonic splittings in H-bonded molecular dimers: adiabatic description and effective mode approximation

The Journal of chemical physics, 2012-11, Vol.137 (18), p.184312-184312

2012

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Mechanism of visible-light photoisomerization of a rhenium(i) carbonyl-diimine complex

Chemical communications (Cambridge, England), 2010-11, Vol.46 (43), p.8225-8227

2010

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Communication: Theoretical prediction of the importance of the 3B2 state in the dynamics of sulfur dioxide

The Journal of chemical physics, 2014-03, Vol.140 (9)

2014

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Photophysics of isomerizable Re(I) complexes: A theoretical analysis

Coordination chemistry reviews, 2011-11, Vol.255 (21), p.2693-2703

2011

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Excited state dynamics in SO2. III. An ab initio quantum study of single- and multi-photon ionization

The Journal of chemical physics, 2014-05, Vol.140 (20), p.204303-204303

2014

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Fully quantal description of combined internal conversion and intersystem crossing processes in the smallest Criegee intermediate CH 2 OO

Physical chemistry chemical physics : PCCP, 2024-09, Vol.26 (37), p.24591-24606

2024

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Conformational dependence of the UV absorption spectrum of CH 3 CH 2 CHOO following excitation to the B1A ′ state

Chemical physics letters, 2023-12, Vol.833, p.140943, Article 140943

2023

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Analysis of the S2←S0 vibronic spectrum of the ortho-cyanophenol dimer using a multimode vibronic coupling approach

The Journal of chemical physics, 2015-02, Vol.142 (8), p.084308-084308

2015

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Photodissociation dynamics and UV absorption spectrum of acetone oxide (CH 3 ) 2 COO

Physical chemistry chemical physics : PCCP, 2023-07, Vol.25 (29), p.19470-19480

2023

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Photodissociation dynamics and UV absorption spectrum of acetone oxide (CH3)2COO

Physical chemistry chemical physics : PCCP, 2023-07, Vol.25 (29), p.19470-19480

2023

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Evidence on single-molecule transport in electrostatically-gated molecular transistors

Physics letters. A, 2012-03, Vol.376 (17), p.1472-1476

2012

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Theoretical Evaluation of Ethylene Insertion into Chromium Alkyl Bonds of Cp–Donor-Based Olefin Polymerization Catalysts

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-01, Vol.116 (3), p.1077-1085

2012

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Correlated quantum treatment of the photodissociation dynamics of formaldehyde oxide CH 2 OO

Physical chemistry chemical physics : PCCP, 2022-05, Vol.24 (20), p.12433-12441

2022

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Correlated quantum treatment of the photodissociation dynamics of formaldehyde oxide CHOO

Physical chemistry chemical physics : PCCP, 2022-05, Vol.24 (2), p.12433-12441

2022

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Correlated quantum treatment of the photodissociation dynamics of formaldehyde oxide CH2OO

Physical chemistry chemical physics : PCCP, 2022-05, Vol.24 (20), p.12433-12441

2022

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Vibronic Coupling and Excitation Transfer in Hydrogen-Bonded Molecular Dimers: A Quantum Dynamical Analysis

On the Fluorescence Properties and Nonradiative Transitions in Medium-Sized All-Trans Polyenes

Photoelectron Spectrum and Dynamics of the Uracil Cation

Excited state dynamics of the s-trans-1, 3-butadiene cation: An ab initio quantum dynamical analysis

Excitonic Splitting and Vibronic Coupling Analysis of the m‑Cyanophenol Dimer

Photoinduced Isomerization of the Photoactive Yellow Protein (PYP) Chromophore: Interplay of Two Torsions, a HOOP Mode and Hydrogen Bonding

Theoretical Investigations on Heteronuclear Chalcogen−Chalcogen Interactions: On the Nature of Weak Bonds between Chalcogen Centers

Theoretical analysis of the S2←S0 vibronic spectrum of the 2-pyridone dimer

Nonadiabatic photodynamics and UV absorption spectrum of all-trans-octatetraene

Fully quantal treatment of nonadiabatic molecular photodynamics: General considerations and application to the benzene cation

Vibrational quenching of excitonic splittings in H-bonded molecular dimers: adiabatic description and effective mode approximation

Mechanism of visible-light photoisomerization of a rhenium(i) carbonyl-diimine complex

Communication: Theoretical prediction of the importance of the 3B2 state in the dynamics of sulfur dioxide

Photophysics of isomerizable Re(I) complexes: A theoretical analysis

Excited state dynamics in SO2. III. An ab initio quantum study of single- and multi-photon ionization

Fully quantal description of combined internal conversion and intersystem crossing processes in the smallest Criegee intermediate CH 2 OO

Conformational dependence of the UV absorption spectrum of CH 3 CH 2 CHOO following excitation to the B1A ′ state

Analysis of the S2←S0 vibronic spectrum of the ortho-cyanophenol dimer using a multimode vibronic coupling approach

Photodissociation dynamics and UV absorption spectrum of acetone oxide (CH 3 ) 2 COO

Photodissociation dynamics and UV absorption spectrum of acetone oxide (CH3)2COO

Evidence on single-molecule transport in electrostatically-gated molecular transistors

Theoretical Evaluation of Ethylene Insertion into Chromium Alkyl Bonds of Cp–Donor-Based Olefin Polymerization Catalysts

Correlated quantum treatment of the photodissociation dynamics of formaldehyde oxide CH 2 OO

Correlated quantum treatment of the photodissociation dynamics of formaldehyde oxide CHOO

Correlated quantum treatment of the photodissociation dynamics of formaldehyde oxide CH2OO

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