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C

Chaoyuan Zhu

Huazhong Agricultural University

H指数:37

被引数:5,121

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Excited-state isomerization and spectral reassignment of resveratrone induced by internal conversion

journal of photochemistry and photobiology a: chemistry

IF0

2026-01-190

PRE

Anharmonic and damped correction to displaced Franck-Condon factors for simulating molecular absorption and fluorescence spectra

非谐性和阻尼校正对位移弗兰克-康登因子的修正，用于模拟分子吸收和荧光光谱

CHINESE JOURNAL OF CHEMICAL PHYSICS

IF1

2025-10-010

PRE

ESIPT-induced intersystem crossing leads to tautomer fluorescence quenching for 3-mercapto-2-(4-(trifluoromethyl) phenyl)-4H-chromen-4-one molecule

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

IF4.7

2025-02-010

PRE

Fluorescence microscopic approach for detection of two different modes of breast cancer cell death induced by nanosecond pulsed electric field

SENSORS AND ACTUATORS B-CHEMICAL

IF7.7

2023-03-015

PRE

Photorelaxation Pathways of 4-(N,N-Dimethylamino)-4′-nitrostilbene Upon S1 Excitation Revealed by Conical Intersection and Intersystem Crossing Networks

IF4.6

2020-05-091

OAAI

Extremely solvent-enhanced absorbance and fluorescence of carbazole interpreted using a damped Franck-Condon simulation

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-03-126

PREAI

Functional and Basis Set Dependence for Time-Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis-Azobenzene Photoisomerization

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2019-11-1912

PREAI

Enhanced photovoltaic performance of dye-sensitized solar cells by the adsorption of Zn-porphyrin dye molecule on TiO2 surfaces

通过Zn-卟啉染料分子在TiO2表面的吸附增强染料敏化太阳能电池的光伏性能

JOURNAL OF ALLOYS AND COMPOUNDS

IF6.3

2019-07-014

PREAI

First-principles study on sum-frequency generation spectroscopy of methanol adsorbed on TiO2(110) surface: Effects of substrate and molecular coverages

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2019-05-134

PREAI

Photocatalytic water splitting of (F, Ti) codoped heptazine/triazine based g-C3N4 heterostructure: A hybrid DFT study

APPLIED SURFACE SCIENCE

IF6.9

2019-01-0154

PREAI

A Density Functional Theory Study on Nonlinear Optical Properties of Double Cage Excess Electron Compounds: Theoretically Design M[Cu(Ag)@(NH3)n](M = Be, Mg and Ca; n=1-3)

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2018-11-1622

OAAI

Theoretical Studies on Catalysis Mechanisms of Serum Paraoxonase 1 and Phosphotriesterase Diisopropyl Fluorophosphatase Suggest the Alteration of Substrate Preference from Paraoxonase to DFP

IF4.6

2018-07-075

OAAI

Electronic and optical performances of (Cu, N) codoped TiO2/g-C3N4 heterostructure photocatalyst: A spin-polarized DFT plus U study

IF6.6

2018-03-0125

PREAI

Dioxygen Activation by Iron Complexes: The Catalytic Role of Intersystem Crossing Dynamics for a Heme-Related Model

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2018-01-307

PREAI

Enhanced optical absorption and photocatalytic H2 production activity of g-C3N4/TiO2 heterostructure by interfacial coupling: A DFT plus U study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

IF8.3

2017-04-0155

PREAI

The electronic structure, optical absorption and photocatalytic water splitting of (Fe plus Ni)-codoped TiO2: A DFT + U study

(Fe加Ni) 共掺杂的TiO2的电子结构，光吸收和光催化水分解: DFT U研究

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

IF8.3

2017-02-0125

PREAI

Orientation hydrogen-bonding effect on vibronic spectra of isoquinoline in water solvent: Franck-Condon simulation and interpretation

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-10-3142

PREAI

Functional Supramolecular Polypeptides Involving π-π Stacking and Strong Hydrogen-Bonding Interactions: A Conformation Study toward Carbon Nanotubes (CNTs) Dispersion

IF5.2

2016-07-2259

PREAI

Intersystem crossing-branched excited-state intramolecular proton transfer for o-nitrophenol: An ab initio on-the-fly nonadiabatic molecular dynamic simulation

SCIENTIFIC REPORTS

IF3.9

2016-05-2546

OAAI

Restoring electronic coherence/decoherence for a trajectory-based nonadiabatic molecular dynamics

SCIENTIFIC REPORTS

IF3.9

2016-04-1115

OAAI