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[会议论文] 作者：ShuhuaLi;,
来源：2012年理论与高性能计算化学国际会议(ICT-HPCC12) 年份：2012
In this talk,I will present our recent progresses in developing electronic structure methods for large systems and provide some interesting applications of thes...
Structural Preferences of Two Unnatural Hybrid Octapeptides with and without the Crystal Environment
[会议论文] 作者：JunjianMiao;ShuhuaLi;,
来源：第十二届全国量子化学会议 年份：2014
A computational study by combining molecular dynamics simulations with density functional theory calculations has been conducted on two unnatural octapeptid...
[期刊论文] 作者：ShuHuaLI,YuLinLI,等,
来源：中国化学快报：英文版 年份：2002
Facile synthesis of 6(E)-geranylgeraniol-19-oic acid 1,a naturally occurring alicyclic diterpene acid,by a Horner-Wadsworth-Emmons olefination of two readily av...
[期刊论文] 作者：LiYanWang，QunXu，ShuHuaLi，BingZ,
来源：黑龙江科技学院学报 年份：2010
为探究吕家坨井田地质构造格局,根据钻孔勘探资料,采用分形理论和趋势面分析方法,研究了井田7...
An Efficient Implementation of Local Excitation Approximation for Treating Excited States of Molecul
[会议论文] 作者：ChenyangZhang;DandanYuan;YangGuo;ShuhuaLi;,
来源：第十二届全国量子化学会议 年份：2014
An efficient implementation of local excitation approximation(LEA)approach is presented for predicting the blueshift of the local n→π* electronic vertical...
[期刊论文] 作者：XingXu，HanmingYuan，ShuhuaLi，Ri,
来源：黑龙江科技学院学报 年份：2007
为探究吕家坨井田地质构造格局,根据钻孔勘探资料,采用分形理论和趋势面分析方法,研究了井田7...
[会议论文] 作者：ManyiYang;JingxiangZou;GuoqiangWang;ShuhuaLi;,
来源：第十三届全国量子化学会议 年份：2017
We proposed and implemented a combined molecular dynamics and coordinate driving(MD/CD)method for automatically searching multi-step reaction pathways of ch...
Molecular Mechanism of Self-assembly of Aromatic Oligoamides into Interlocked Double-helix Foldamers
[会议论文] 作者：DongboZhao[1]YigaoYuan[2]HanchenWang[2]HaoDong[2]ShuhuaLi[3],
来源：第十三届全国量子化学会议 年份：2017
Foldamer,with a propensity to fold into a 3D structure in solution,has been a hot button in supramolecular chemistry,due to its similarity to the structures...
The Targeted Transduction of MMP-Overexpressing Tumor Cells by ACPP-HPMA Copolymer-Coated Adenovirus
[会议论文] 作者：ShuhuaLi[1]JuanzhiChen[2]HuiyongXu[2]JieLong[3]XiaobinXie[3]YajieZhang[1],
来源：2014医学科学前沿暨第三届个体化治疗与抗肿瘤药物研究新趋向研讨会 年份：2014
We have designed and tested a new way to selectively deliver HPMA polymer-coated adenovirus type 5 (Ad5) particles into matrix metalloproteinase (MMP)-overe...
Benchmark relative energies for large water clusters with the generalized energy-based fragmentation
[会议论文] 作者：DandanYuan[1]YunzhiLi[1]ZhigangNi[1]PeterPulay[2]WeiLi[1]ShuhuaLi[1],
来源：第十三届全国量子化学会议 年份：2017
The generalized energy-based fragmentation(GEBF)method has been applied to investigate relative energies of large water clusters(H2O)n(n=32,64)with the coup...
[会议论文] 作者：GuoqiangWang[1]JiaCao[1]LiuzhouGao[1]WenxinChen[2]WenhaoHuang[2]XuCheng[2]ShuhuaLi[1],
来源：第十三届全国量子化学会议 年份：2017
The pyridine core is an important class of structural unit found in pharmaceutical compounds and functional materials.Transition metal catalysts or organome...
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