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Physical Chemistry Chemical Physics : PCCP|July 19, 2018
Probing the π → π* photoisomerization mechanism of trans-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulationsChao Xu, Le Yu, Feng Long Gu, et al.Journal of Chemical Theory and Computation|November 20, 2025
Electronic Excitation Energy Calculations with Configuration Interaction Based on Nonorthogonal Localized Molecular OrbitalsFeng Long Gu, Daoling Peng, Liang Peng, et al.Physical Chemistry Chemical Physics : PCCP|July 15, 2015
Theoretical study on catalyzed selective photoreduction mechanism for 4-bromobenzaldehyde in two different solventsXiao Huang, Liang Peng, Feng Long Gu, et al.Physical Chemistry Chemical Physics : PCCP|February 15, 2021
Photoisomerization-mechanism-associated excited-state hydrogen transfer in 2'-hydroxychalcone revealed by on-the-fly trajectory surface-hopping molecular dynamics simulationYing Hu, Ling Yue, Feng Long Gu, et al.Journal of Computational Chemistry|December 19, 2009
Describing electron correlation effects in the framework of the elongation method--elongation-MP2: formalism, implementation and efficiencyMarcin Makowski, Jacek Korchowiec, Feng Long Gu, et al.The Journal of Chemical Physics|September 4, 2007
Nonlinear optical properties of polydiacetylene with donor-acceptor substitution blockShin-Ichi Ohnishi, Yuuichi Orimoto, Feng Long Gu, et al.Journal of Computational Chemistry|July 16, 2009
Theoretical study on nonlinear optical properties of the Li(+)[calix[4]pyrrole]Li(-)dimer, trimer and its polymer with diffuse excess electronsGuang Tao Yu, Wei Chen, Feng Long Gu, et al.The Journal of Chemical Physics|November 20, 2004
A new localization scheme for the elongation methodFeng Long Gu, Yuriko Aoki, Jacek Korchowiec, et al.Journal of Chemical Theory and Computation|November 19, 2015
Coupled-Perturbed SCF Approach for Calculating Static Polarizabilities and Hyperpolarizabilities with Nonorthogonal Localized Molecular OrbitalsShaopeng Li, Linping Hu, Liang Peng, et al.Physical Chemistry Chemical Physics : PCCP|February 25, 2021
Nonadiabatic molecular dynamics simulation for the ultrafast photoisomerization of dMe-OMe-NAIP based on TDDFT on-the-fly potential energy surfacesYing Hu, Chao Xu, Linfeng Ye, et al.Pageof 1,072