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Le Yu
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Chiral conversion and periodical decay in bridged-azobenzene photoisomerization: an ab initio on-the-fly nonadiabatic dynamics simulation.RSC Advances.2016:6/47/39542-39552
Excited-state E->Z photoisomerization mechanism unveiled by ab initio nonadiabatic molecular dynamics simulation for hemithioindigo-hemistilbene.Physical Chemistry Chemical Physics.2017:19/19/12185-12198
Photoisomerization mechanisms from trans, trans-1,4-diphenyl-1,3-butadiene: CASSCF on-the-fly trajectory surface hopping dynamic simulations.Phys. Chem. Chem. Phys..2016
Could the increased structural versatility imposed by non-halogen ligands bring something new for polynuclear superhalogens? A case study on binuclear [Mg2L5](-) (L = -OH, -OOH and - OF) anions.PHYSICAL CHEMISTRY CHEMICAL PHYSICS.2017:卷: 19 期: 39 页: 26986-26995
Palladium-catalyzed oxidative carbonylation of N-aryl enamino esters with CO and alcohols: synthesis of N-aryl aminomethylenemalonates.Chem. Commun..2017:53/46/6243--6246
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钯催化烯烃的串联氧化羰基化反应研究, 2017/08/01, 进行
基于Zhu-Nakamura跃迁几率算法的非绝热直接动力学模拟方法, 2016/01/01
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