Trajectory-based nonadiabatic molecular dynamics without calculating nonadiabatic coupling in the avoided crossing case: trans↔cis photoisomerization in azobenzene von Yu, Le, Xu, Chao, Lei, Yibo, Zhu, Chaoyuan, Wen, Zhenyi

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The magnetic coupling in manganese-based dinuclear superhalogens and their analogues. A theoretical characterization from a combined DFT and BS study von Yin, Bing, Li, Jianli, Bai, Hongcun, Wen, Zhenyi, Jiang, Zhenyi, Huang, Yuanhe

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Light response of gametophyte in Adiantum flabellulatum: transcriptome analysis and identification of key genes and pathways von Cai, Zeping, Wang, Xiaochen, Xie, Zhenyu, Wen, Zhenyi, Yu, Xudong, Xu, Shitao, Su, Xinyu, Luo, Jiajia

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NCAPG Promotes Tumor Progression and Modulates Immune Cell Infiltration in Glioma von Zheng, Guangrong, Han, Tao, Hu, Xiaomu, Yang, Zhou, Wang, Jin, Wen, Zhenyi, Li, Hengyu, Wang, Hongjin

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First-principles predictions of potential hydrogen storage materials: Novel sandwich-type ethylene dimetallocene complexes von Han, Ying, Meng, Yong, Zhu, Haiyan, Jiang, Zhenyi, Lei, Yibo, Suo, Bingbing, Lin, Yanming, Wen, Zhenyi

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Landscapes of Four-Enantiomer Conical Intersections for Photoisomerization of Stilbene: CASSCF Calculation von Lei, Yibo, Yu, Le, Zhou, Bo, Zhu, Chaoyuan, Wen, Zhenyi, Lin, Sheng Hsien

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Detailed Dynamics of the Nonradiative Deactivation of Adenine: A Semiclassical Dynamics Study von Lei, Yibo, Yuan, Shuai, Dou, Yusheng, Wang, Yubin, Wen, Zhenyi

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Nonadiabatic simulation study of photoisomerization of azobenzene: Detailed mechanism and load-resisting capacity von Shao, Junfeng, Lei, Yibo, Wen, Zhenyi, Dou, Yusheng, Wang, Zhisong

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The mechanism at the initial stage of the room-temperature oxidation of coal von Shi, Ting, Wang, Xiaofang, Deng, Jun, Wen, Zhenyi

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Constraint Trajectory Surface-Hopping Molecular Dynamics Simulation of the Photoisomerization of Stilbene von Wen, Zhenyi, Zhu, Chaoyuan, Wu, Shaomei, Lei, Yibo, Lin, Sheng-Hsien

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Electronic structure calculations of low-lying electronic states of O3 von Han, Huixian, Suo, Bingbing, Xie, Daiqian, Lei, Yibo, Wang, Yubin, Wen, Zhenyi

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All-metal binuclear sandwich complexes Al4Ti2Al4: High capacity hydrogen storage through multicenter bonds von Zhu, Haiyan, Han, Ying, Suo, Bingbing, Zhai, Gaohong, Wen, Zhenyi

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New Implementation of Semi-classical Dynamic Simulation on the Photoisomerization of cis - and trans-Isomers of Free Stilbene von Lei, Yibo, Zhu, Chaoyuan, Wen, Zhenyi, Lin, Sheng-Hsien

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Effects of ammonia on the explosion and flame propagation characteristics of methane-air mixtures von Luo, Zhenmin, Wang, Tao, Ren, Junying, Deng, Jun, Shu, Chimin, Huang, Anqi, Cheng, Fangming, Wen, Zhenyi

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Hole–particle correspondence in CI calculations von Wang, Yubin, Zhai, Gaohong, Suo, Binbin, Gan, Zhengting, Wen, Zhenyi

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A modified multi-reference second order perturbation theory von Li, AnYang, Han, HuiXian, Suo, BingBing, Wang, YuBin, Wen, ZhenYi

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Potential energy surfaces for low-lying electronic states of SO2 von Li, Anyang, Suo, Bing, Wen, Zhenyi, Wang, Yubin

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Effect of C C C bond bending vibration on the photodissociation of cyclobutane von Dou, Yusheng, Lei, Yibo, Wen, Zhenyi, Wang, Yubin, Lo, Glenn V., Allen, Roland E.

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New schemes for internally contracted multi-reference configuration interaction von Wang, Yubin, Han, Huixian, Lei, Yibo, Suo, Bingbing, Zhu, Haiyan, Song, Qi, Wen, Zhenyi

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Synthesis, characterization and biological evaluation of fluorescent biphenyl–furocoumarin derivatives von He, Huaizhen, Wang, Cheng, Wang, Tao, Zhou, Nan, Wen, Zhenyi, Wang, Sicen, He, Langchong

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