Fenglong Gu
32PUBLICATIONS
46CO-AUTHORS
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Publications (32)
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|Dec 29, 2025
Understanding of molecular motions in nonadiabatic photoisomerization dynamics of cis-stilbene with on-the-fly simulation of transient absorption pump-probe spectra.Juanjuan Zhang, Hangxu Liu, Congru Lin
|Nov 20, 2025
Electronic Excitation Energy Calculations with Configuration Interaction Based on Nonorthogonal Localized Molecular Orbitals.Feng Long Gu, Daoling Peng, Liang Peng
|Jun 10, 2025
Theoretical prediction of pressure-stabilized all-nitrogen N12 molecular crystals with π-π stacking.Lei Zhao, Zelin Ma, Daoling Peng
|Feb 19, 2025
Nonlinear Optics Materials Designed by Intramolecular Boron- and Nitrogen-Locking Strategies: Exploring Torsion Angle Descriptors.Bo Li, Shichen Lin, Feng Long Gu
|Jun 17, 2024
The development of the QM/MM interface and its application for the on-the-fly QM/MM nonadiabatic dynamics in JADE package: Theory, implementation, and applications.Haiyi Huang, Jiawei Peng, Yulin Zhang
|Apr 02, 2024
Intramolecular boron-locking strategy induced remarkable first hyperpolarizability: role of torsion angles between donor and acceptor units.Bo Li, Shichen Lin, Feng Long Gu
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