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Binding free energy of several sterols to the N‐terminal domain of Niemann‐Pick C1‐like 1 protein due to mutation: Molecular dynamics study

Journal of the Chinese Chemical Society (Taipei), 2023-03, Vol.70 (3), p.539-546

2023

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Gas‐Phase Synthesis of the Elusive Cyclooctatetraenyl Radical (C8H7) via Triplet Aromatic Cyclooctatetraene (C8H8) and Non‐Aromatic Cyclooctatriene (C8H8) Intermediates

Angewandte Chemie (International ed.), 2017-10, Vol.56 (44), p.13655-13660

International ed. in English, 2017

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An ab initio Study of Excited States of C4H3 Radical

Bulletin of the Korean Chemical Society, 2016, 37(11), , pp.1846-1849

2016

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ExoMol line lists – LVI. The SO line list, MARVEL analysis of experimental transition data and refinement of the spectroscopic model

Monthly notices of the Royal Astronomical Society, 2024-01, Vol.527 (3), p.6675-6690

2024

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ExoMol line lists – XLVI. Empirical rovibronic spectra of silicon mononitrate (SiN) covering the six lowest electronic states and four isotopologues

Monthly notices of the Royal Astronomical Society, 2022-09, Vol.516 (1), p.1158-1169

2022

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On the validity of the independent interaction model for generation of dynamic Stark-induced degenerate states in chiral aromatic ring molecules

Chemical physics letters, 2020-02, Vol.741, p.137124, Article 137124

2020

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Dynamic Stark-Induced Coherent π‑Electron Rotations in a Chiral Aromatic Ring Molecule: Application to Phenylalanine

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-08, Vol.123 (30), p.6399-6410

2019

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Quantum Design for Ultrafast Probing of Molecular Chirality through Enantiomer-Specific Coherent π‑Electron Angular Momentum

The journal of physical chemistry letters, 2018-09, Vol.9 (18), p.5521-5526

2018

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Induction of unidirectional π-electron rotations in low-symmetry aromatic ring molecules using two linearly polarized stationary lasers

Physical chemistry chemical physics : PCCP, 2016-09, Vol.18 (38), p.26786-26795

2016

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Solvent migration from the C- to the N-terminus of amino acid in photoionization of phenylglycine-water complex

The Journal of chemical physics, 2008-01, Vol.128 (4), p.041104-041104

2008

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Oxidation of the para-Tolyl Radical by Molecular Oxygen under Single-Collison Conditions: Formation of the para-Toloxy Radical

The journal of physical chemistry letters, 2016-12, Vol.7 (24), p.5121-5127

2016

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The Reaction of Tricarbon with Acetylene: An Ab Initio/RRKM Study of the Potential Energy Surface and Product Branching Ratios

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-07, Vol.111 (29), p.6704-6712

2007

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Gas‐Phase Synthesis of the Elusive Cyclooctatetraenyl Radical (C8H7) via Triplet Aromatic Cyclooctatetraene (C8H8) and Non‐Aromatic Cyclooctatriene (C8H8) Intermediates

Angewandte Chemie, 2017-10, Vol.129 (44), p.13843-13848

2017

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Theoretical investigations of spectroscopy and excited state dynamics of adenine

Chemical physics letters, 2007-09, Vol.445 (4), p.361-369

2007

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Ab Initio/RRKM Study of the Potential Energy Surface of Triplet Ethylene and Product Branching Ratios of the C(3P) + CH4 Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-03, Vol.107 (11), p.1788-1796

2003

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Ab initio study of excited electronic states and vibronic spectra of phenyl radical

Chemical physics letters, 2002-08, Vol.361 (5), p.421-431

2002

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Mutation on NPC1L1 NTD and the sterol binding stability: molecular dynamics study

Acta crystallographica. Section A, Foundations and advances, 2023-08, Vol.79 (a2), p.C1277-C1277

2023

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A theoretical re-evaluation of the heat of formation of phenylcarbene

Chemical physics letters, 2001-12, Vol.349 (5), p.571-577

2001

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Ab initio investigations on the HOSO2+O2→SO3+HO2 reaction

The Journal of chemical physics, 2000-01, Vol.112 (2), p.723-730

2000

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An ab initio Study of Excited States of C 4 H 3 Radical

Bulletin of the Korean Chemical Society, 2016-11, Vol.37 (11), p.1846-1849

2016

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Gas-Phase Synthesis of the Elusive Cyclooctatetraenyl Radical (C 8 H 7 ) via Triplet Aromatic Cyclooctatetraene (C 8 H 8 ) and Non-Aromatic Cyclooctatriene (C 8 H 8 ) Intermediates

Angewandte Chemie (International ed.), 2017-09, Vol.56 (44)

2017

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Gas-Phase Synthesis of the Elusive Cyclooctatetraenyl Radical (C 8H7) via Triplet Aromatic Cyclooctatetraene (C8H8) and Non-Aromatic Cyclooctatriene (C8H8) Intermediates

Angewandte Chemie (International ed.), 2017-09, Vol.56 (44)

2017

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Induction of unidirectional π-electron rotations in low-symmetry aromatic ring molecules using two linearly polarized stationary lasersElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04254f

2016-09

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Understanding of cholesterol-binding protein structure with molecular dynamics

Acta crystallographica. Section A, Foundations and advances, 2017-12, Vol.73 (a2), p.C969-C969

2017

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A theoretical study of the excited electronic states of the molecular ion BBr

Molecular physics, 1997-01, Vol.90 (1), p.43-47

1997

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Binding free energy of several sterols to the N‐terminal domain of Niemann‐Pick C1‐like 1 protein due to mutation: Molecular dynamics study

Gas‐Phase Synthesis of the Elusive Cyclooctatetraenyl Radical (C8H7) via Triplet Aromatic Cyclooctatetraene (C8H8) and Non‐Aromatic Cyclooctatriene (C8H8) Intermediates

An ab initio Study of Excited States of C4H3 Radical

ExoMol line lists – LVI. The SO line list, MARVEL analysis of experimental transition data and refinement of the spectroscopic model

ExoMol line lists – XLVI. Empirical rovibronic spectra of silicon mononitrate (SiN) covering the six lowest electronic states and four isotopologues

On the validity of the independent interaction model for generation of dynamic Stark-induced degenerate states in chiral aromatic ring molecules

Dynamic Stark-Induced Coherent π‑Electron Rotations in a Chiral Aromatic Ring Molecule: Application to Phenylalanine

Quantum Design for Ultrafast Probing of Molecular Chirality through Enantiomer-Specific Coherent π‑Electron Angular Momentum

Induction of unidirectional π-electron rotations in low-symmetry aromatic ring molecules using two linearly polarized stationary lasers

Solvent migration from the C- to the N-terminus of amino acid in photoionization of phenylglycine-water complex

Oxidation of the para-Tolyl Radical by Molecular Oxygen under Single-Collison Conditions: Formation of the para-Toloxy Radical

The Reaction of Tricarbon with Acetylene: An Ab Initio/RRKM Study of the Potential Energy Surface and Product Branching Ratios

Gas‐Phase Synthesis of the Elusive Cyclooctatetraenyl Radical (C8H7) via Triplet Aromatic Cyclooctatetraene (C8H8) and Non‐Aromatic Cyclooctatriene (C8H8) Intermediates

Theoretical investigations of spectroscopy and excited state dynamics of adenine

Ab Initio/RRKM Study of the Potential Energy Surface of Triplet Ethylene and Product Branching Ratios of the C(3P) + CH4 Reaction

Ab initio study of excited electronic states and vibronic spectra of phenyl radical

Mutation on NPC1L1 NTD and the sterol binding stability: molecular dynamics study

A theoretical re-evaluation of the heat of formation of phenylcarbene

Ab initio investigations on the HOSO2+O2→SO3+HO2 reaction

An ab initio Study of Excited States of C 4 H 3 Radical

Gas-Phase Synthesis of the Elusive Cyclooctatetraenyl Radical (C 8 H 7 ) via Triplet Aromatic Cyclooctatetraene (C 8 H 8 ) and Non-Aromatic Cyclooctatriene (C 8 H 8 ) Intermediates

Gas-Phase Synthesis of the Elusive Cyclooctatetraenyl Radical (C 8H7) via Triplet Aromatic Cyclooctatetraene (C8H8) and Non-Aromatic Cyclooctatriene (C8H8) Intermediates

Induction of unidirectional π-electron rotations in low-symmetry aromatic ring molecules using two linearly polarized stationary lasersElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04254f

Understanding of cholesterol-binding protein structure with molecular dynamics

A theoretical study of the excited electronic states of the molecular ion BBr

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