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From intermolecular interaction to intramolecular interaction,the energy decomposition analysis sche
[会议论文] 作者：Peifeng Su,
来源：2016年理论与高性能计算化学国际会议(International Conference on Theoretical 年份：2016
Molecular interaction is vital in various molecular properties and chemical/biochemical processes.As derived from quantum mechanics methods,energy decomposi...
Energy decomposition analysis for intermolecular interactions: LMO-EDA scheme and the further develo
[会议论文] 作者：Peifeng Su,
来源：International Conference on Theoretical and High Performance 年份：2013
A deep understanding of intermolecular interactions within an ab initio framework in various environments is vital for chemistry and life science etc.The LMO-EDA method provides analysis for open or c...
[会议论文] 作者：Peifeng Su,Wei Wu,
来源：第六届国际理论化学、分子模拟和生命科学研讨会暨科学计算和模拟软件发展平台学术交流会 年份：2011
An energy decomposition analysis algorithm for the analysis of both bonding and nonbonding interactions in solvated environment, named EDA-PCM, is implement...
[会议论文] 作者：Peifeng Su,Fuming Ying,Wei Wu,
来源：第五届国际理论化学、分子模拟和生命科学研讨会 年份：2010
...
[期刊论文] 作者：Peifeng Su,Hongjiang Chen,Wei Wu,,
来源：Science China(Chemistry) 年份：2016
In this work, the intra-EDA method, which is a recently developed energy decomposition analysis scheme for intramolecular non-covalent interaction is extended f...
[会议论文] 作者：Zongyuan Liu,Wei Wu,Peifeng Su,
来源：第十三届全国量子化学会议 年份：2017
In this poster,we explore the physical origin of the triple H-bonds in tryptamine H2O dimer using a series of qualitative and quantitive analysis schemes....
[会议论文] 作者：Chen Zhou,Fuming Ying,Peifeng Su,Wei Wu,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
...
[会议论文] 作者：Wei Wu,Dan Shen,Peifeng Su,Quanli Gu,
来源：第十三届全国量子化学会议 年份：2017
The hydrogen bonding interactions in a series of glycolic acid-small molecule complexes were studied by the generalized Kohn-Sham energy decomposition analy...
[会议论文] 作者：Yang Zhang,Sifeng Chen,Peifeng Su,Wei Wu,
来源：第十三届全国量子化学会议 年份：2017
Valence bond(VB)theory,[1] which is one of the general theoretical approaches for chemical bonding,has been employed to the analysis of molecular interactio...
[会议论文] 作者：Dan Shen,Quanli Gu,Peifeng Su,Wei Wu,
来源：第十三届全国量子化学会议 年份：2017
The hydrogen bonding interactions in a series of glycolic acid-small molecule complexes were studied by the generalized Kohn-Sham energy decomposition analysis(GKS-EDA)....
[期刊论文] 作者：Yu Liu,Peifeng Su,Miaomiao Li,Zhanping You,Mohan Zhao,
来源：交通运输工程学报（英文版） 年份：2020
The purpose of this study was to summarize the wide-range literatures on asphalt pavements,explore the evolution of road pavements,analyze typical asphalt pavem...
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