Shu-Hua Xia

9PUBLICATIONS
5CO-AUTHORS
Organometallic chemistryPhotochemistryTheoretical quantum chemistryNonlinear optics and spectroscopyBiologically active molecules
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Publications (9)

|Jul 09, 2026
Substituent Effects on Excited-State Relaxation of N,N'-Bis(salicylidene)-p-phenylenediamine: A Comparative Study of BSP and S-BSP.

|Sep 13, 2024
Photocyclization and Photoisomerization Mechanisms of an Indolylfulgide Derivative in Acetonitrile Solution by Using the QM (MS-CASPT2)/MM Method.

Wei Wang, Zi-Wen Li, Xue-Tian-Hao Wang

|Mar 06, 2024
Photochemical Mechanisms of Hydroxyquinoline Benzimidazole: Insights from Electronic Structure Calculations and Nonadiabatic Dynamics Simulations.

Xiaohang Chen, XinYu Zhang, Juan Han

|Jan 16, 2024
Structures and Energetics of E2H3+ (E = As, Sb, and Bi) Cations.

Shu-Hua Xia, Jihuan He, Zhuoqun Liu

|Nov 07, 2023
Excited-state relaxation mechanisms of 2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol: single- or double-proton transfer?

Jiahui Wu, Jihuan He, Wei Wang

|Jul 10, 2023
Non-adiabatic dynamics simulations of the S1 excited-state relaxation of diacetyl phenylenediamine.

Xiaohang Chen, Wei Wang, Dongyi Xiao

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Frequent Collaborators

3 joint publications

Ganglong Cui

2 joint publications

Xiaohang Chen

1 joint publications

Mitchell E Lahm

1 joint publications

Gregory H Robinson