Shu-Hua Xia

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 11

Top Topics

Electron Transfer

Depressive Symptoms

Molecular Dynamics

Top Venues

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Xiaohang Chen, XinYu Zhang, Juan Han, Shu-Hua Xia
Photochemical Mechanisms of Hydroxyquinoline Benzimidazole: Insights from Electronic Structure Calculations and Nonadiabatic Dynamics Simulations. The journal of physical chemistry. A (2024)
Shu-Hua Xia, Jihuan He, Zhuoqun Liu, Yunhan Liu, Yan Zhang, Yaoming Xie, Mitchell E Lahm, Gregory H Robinson, Henry F Schaefer
Structures and Energetics of E 2 H 3 + (E = As, Sb, and Bi) Cations. The journal of physical chemistry. A (2024)
Shu-Hua Xia, Jihuan He, Zhuoqun Liu, Yunhan Liu, Yan Zhang, Yaoming Xie, Mitchell E Lahm, Gregory H Robinson, Henry F Schaefer
Structures and Energetics of E 2 H 3 + (E = As, Sb, and Bi) Cations. The journal of physical chemistry. A 128 (3) (2024)
Xiaohang Chen, XinYu Zhang, Juan Han, Shu-Hua Xia
Photochemical Mechanisms of Hydroxyquinoline Benzimidazole: Insights from Electronic Structure Calculations and Nonadiabatic Dynamics Simulations. The journal of physical chemistry. A 128 (11) (2024)
Wei Wang, Zi-Wen Li, Xue-Tian-Hao Wang, Shu-Hua Xia
Photocyclization and Photoisomerization Mechanisms of an Indolylfulgide Derivative in Acetonitrile Solution by Using the QM (MS-CASPT2)/MM Method. The journal of physical chemistry. A (2024)
Shu-Hua Xia, Jihuan He, Zhuoqun Liu, Yunhan Liu, Yan Zhang, Yaoming Xie, Mitchell E Lahm, Gregory H Robinson, Henry F Schaefer
Structures and Energetics of E 2 H 3 + (E = As, Sb, and Bi) Cations. The journal of physical chemistry. A 128 (3) (2024)
Xiaohang Chen, Wei Wang, Dongyi Xiao, Shu-Hua Xia, Yan Zhang
Non-adiabatic dynamics simulations of the S 1 excited-state relaxation of diacetyl phenylenediamine. Physical chemistry chemical physics : PCCP (2023)
Jiahui Wu, Jihuan He, Wei Wang, Xiaohang Chen, Shu-Hua Xia
Excited-state relaxation mechanisms of 2,2'-(1-phenyl-1 H -1,2,4-triazole-3,5-diyl)diphenol: single- or double-proton transfer? Physical chemistry chemical physics : PCCP (2023)
Jiahui Wu, Xiaohang Chen, Shu-Hua Xia, Ganglong Cui, Yan Zhang
Excited-state photochemistry dynamics of 2-(1-naphthyl) phenol: electronic structure calculations and non-adiabatic dynamics simulations. Physical chemistry chemical physics : PCCP 24 (35) (2022)
Jiahui Wu, Xiaohang Chen, Ling-Ya Peng, Ganglong Cui, Shu-Hua Xia
Excited-State Deactivation Mechanism of 3,5-bis(2-hydroxyphenyl)-1 H -1,2,4-triazole: Electronic Structure Calculations and Nonadiabatic Dynamics Simulations. The journal of physical chemistry. A 126 (25) (2022)
Ling-Ya Peng, Zi-Wen Li, Qiu Fang, Bin-Bin Xie, Shu-Hua Xia, Ganglong Cui
Combined QM (MS-CASPT2)/MM studies on photocyclization and photoisomerization of a fulgide derivative in toluene solution. Physical chemistry chemical physics : PCCP (2022)