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[会议论文] 作者：Jiali GAO,
来源：2014国际分子生物物理学前沿研讨会暨2014计算化学国际前沿研讨会 年份：2014
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[会议论文] 作者：JiaLi Gao,
来源：第十二届全国量子化学会议 年份：2014
Atomistic simulation and modeling of biomolecular systems and quantitative analysis of protein-ligand interactions are generally performed with the use of m...
[会议论文] 作者：Jiali Gao,
来源：第十一届全国量子化学会议 年份：2011
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[会议论文] 作者：Jiali Gao,
来源：2015国际分子生物物理学前沿研讨会暨2015计算化学国际前沿研讨会 年份：2015
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[会议论文] 作者：Jiali Gao,
来源：中国化学会第一届全国燃烧化学学术会议 年份：2015
A multistate density functional theory(MSDFT) is described for study chemical reactions in macromolecular systems.Here,a large system is partitioned into molecu...
[会议论文] 作者：Jiali Gao,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
A multistate density functional theory is presented for molecular dynamics simulation of electron and proton transfer reactions in condensed phases....
[会议论文] 作者：Jiali Gao,Jinkui Chu,
来源：The 5th International Conference of Bionic Engineering 第五届国际 年份：2016
Owl feathers have been investigated for silent flight characteristics.In order to establish the feasibility of bionic application of the owls special feathe...
Construction of Diabatic and Adiabatic Potential Energy Surfaces of Li2 by Multistate Density Functi
[会议论文] 作者：MengWang,Zexing Qu,Jiali Gao,
来源：第十五届全国化学动力学会议 年份：2017
In this study,we describe the total of 26 diabatic states for lithium dimer(Li2)to determine the adiabatic ground state and excited states and their potenti...
Construction of Diabatic and Adiabatic Potential Energy Surfaces of Li2 by Multistate Density Functi
[会议论文] 作者：MengWang,Zexing Qu,Jiali Gao,
来源：第十五届全国化学动力学会议 年份：2017
In this study,we describe the total of 26 diabatic states for lithium dimer(Li2)to determine the adiabatic ground state and excited states and their potential energy surfaces using multistate density...
[会议论文] 作者：Meiyi Liu,Adam Grofe,Jiali Gao,
来源：第十三届全国量子化学会议 年份：2017
Isotopic substitution effect the dissociation constants of hydroxyl in water.A total of 22 molecules with O-H bond or S-H bond were considered in water....
[会议论文] 作者：Jiali Gao,Xin Chen,Zexing Qu,
来源：第十三届全国量子化学会议 年份：2017
This report will focus on the recent progress of developing a new fragment based quantum mechanics force field(QMRF).QMRF can be applied to investigate the...
[会议论文] 作者：Ji Lv,Jiali Gao,Yakun Chen,
来源：第十五届全国化学动力学会议 年份：2017
Although carbonated beverages are mostly enjoyed at leisure,the many physical and chemical processes in them remain clouded at the molecular level.In this article,we employ the molecular dynamics to d...
Synthesis and antioxidant activity of copper (II) complexes with l,3-bis(butylbenzimidazol-2-yl)-2-o
[会议论文] 作者：Fan Kou,Fei Jia,Jiali Gao,Huilu Wu,
来源：2011年中西部地区无机化学化工学术研讨会 年份：2011
@@ Crown ethers and coronads are alicyclic polyethers made up of ethylene glycol units that are capable of selective interac-tions. The initial research of Pede...
[会议论文] 作者：He Yin,Ruijie Xue,Adam Grofe,Hui Li,Jiali Gao,
来源：第十三届全国量子化学会议 年份：2017
The infrared spectra of amide I bands of protein can reflect valuable protein conformational information and provide insight into the protein folding and ot...
[期刊论文] 作者：Wang,Manping Ye,Shanshan Li,Deyong Li,Haisheng Ren,Mohan Wang,Luchao Du,Heng Li,Gianluigi Veglia,Jiali Gao,
来源：Science China(Chemistry) 年份：2020
Major light-harvesting complex of photosystem Ⅱ(LHCⅡ) plays a dual role in light-harvesting and excited energy dissipation to protect photodamage from excess energy. The regulatory switch is induced b...
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