搜索页_+Improper+hydrogen+bond

设为首页

收藏本站

网站地图 | English | 公务邮箱

About the library

Background
History
Leadership
Organization

Readers' Guide

Opening Hours
Collections
Help Via Email

Publications

Electronic Information Resources

外文资源

Elsevier电子期刊(34)

在“Elsevier电子期刊”中，命中：34条，耗时：0.0349829 秒

在所有数据库中总计命中：57条

1.Biophysical changes of ATP binding pocket may explain loss of kinase activity in mutant DAPK3 in cancer: A molecular dynamic simulation analysis

作者：Tarun Agarwal^a ; ^{tarun3agarwal5@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Nithyanan Annamalai^b ; ^{nithyanny90@hotmail.com" class="auth_mail" title="E-mail the corresponding author} ; Tapas Kumar Maiti^a ; ^{tkmaiti@hijli.iitkgp.ernet.in" class="auth_mail" title="E-mail the corresponding author} ; Hasni Arsad^b ; ^{hasni@amdi.usm.edu.my" class="auth_mail" title="E-mail the corresponding author}

关键词：DAPK3 ; death-associated protein kinases ; T112M ; threonine replaced by methionine at 112 position ; D161N ; aspartic acid replaced by asparagine at 161 position ; P216S ; proline replaced by serine at 216 position ; RMSD ; root mean standard deviation ; RMSF ; root mean standard fluctuation ; HB ; hydrogen bonding ; Rg ; radius of gyration ; SASA ; solvent accessible surface area ; TE ; total energy ; PCA ; principal component analysis

刊名：Gene

出版年：2016

2.The influence of cation-¦Ð and anion-¦Ð interactions on the strength and nature of N?H hydrogen bond

作者：Ali Ebrahimi^a ; ^{Ebrahimi@chem.usb.ac.ir} ; Hamid Reza Masoodi^b ; Mostafa Habibi Khorassani^a ; Mojtaba Hoseini Ghaleno^a

关键词：Cation-¦Ð ; Anion-¦Ð ; Hydrogen bond ; s-Triazine ; Ab initio

刊名：Computational and Theoretical Chemistry

出版年：2012

3.Improper hydrogen-bonded cyclohexane C–H_axY_ax contacts: experimental evidence from ¹H NMR spectroscopy of suitable axial cyclohexane models

作者：Nikolaos Zervos ; Antonios Kolocouris

关键词：Improper hydrogen bonding ; 2-Substituted adamantanes ; Axial cyclohexane conformer ; ¹H NMR chemical shifts ; Chemical shift difference ; Ab initio B3LYP calculations ; Hyperconjugative interactions ; Overlap interactions

刊名：Tetrahedron Letters

出版年：2010

4.Ferroelasticity in a metal-organic framework perovskite; towards a new class of multiferroics

作者：Wei Li ; Zhiying Zhang ; Erica G. Bithell ; Andrei S. Batsanov ; Phillip T. Barton ; Paul J. Saines ; Prashant Jain ; Christopher J. Howard ; Michael A. Carpenter ; Anthony K. Cheetham

关键词：Metal&ndash ; organic framework ; Perovskite ; Ferroelasticity ; Phase transition ; Resonant ultrasound spectroscopy

刊名：Acta Materialia

出版年：2013

5.Can the protonation state of histidine residues be determined from molecular dynamics simulations?

作者：Jon Uranga ; Paulius Mikulskis ; Samuel Genheden ; Ulf Ryde ; ^{Ulf.Ryde@teokem.lu.se}

关键词：Histidine protonation ; Molecular dynamics simulations ; Side-chain rotation ; Dihedral distribution

刊名：Computational and Theoretical Chemistry

出版年：2012

6.Cooperative effects in blue-shifted hydrogen bonded cluster of CF₃H(HF)_1n

作者：P. Rodziewicz ; K.S. Rutkowski ; S.M. Melikova ; A. Koll

关键词：Conventional and improper hydrogen bonds ; Cooperative effects ; Density functional calculations ; Molecular dynamics

刊名：Chemical Physics

出版年：2009

7.Blue shifted intramolecular C−H···O improper hydrogen bonds in conformers of zidovudine

作者：Fangfang Chen ; Lalitha Selvam ; Feng Wang

刊名：Chemical Physics Letters

出版年：2010

8.Glycine–methanesulfonic acid (1:1) and glycine–p-toluenesulfonic acid (1:1) crystals: Comparison of structures, hydrogen bonds, and vibrations

作者：D. Chwaleba ; M.M. Ilczyszyn ; M. Ilczyszyn ; Z. Ciunik

关键词：Glycine– ; methanesulfonic acid crystal ; Glycine– ; p-toluenesulfonic acid crystal ; Vibrational spectra ; X-ray diffraction ; DSC ; Hydrogen bond ; Improper hydrogen bond ; Blue shift ; Acidity

刊名：Journal of Molecular Structure

出版年：2007

9.Solvent effects on blue shifted improper hydrogen bond of C–HO in deoxycytidine isomers

作者：Lalitha Selvam ; Fangfang Chen ; Feng Wang

刊名：Chemical Physics Letters

出版年：2010

10.Evaluation of the criteria of hydrogen bonding in highly associated liquids

作者：Dorota Swiatla-Wojcik

关键词：Hydrogen bond definition ; Hydrogen bonding in water ; Sub-critical water ; Connectivity of hydrogen bonds ; Dynamics of hydrogen bonds

刊名：Chemical Physics

出版年：2007

按检索点细分(34)

题名(8)

关键词(6)

文摘(29)

按出版年细分(34)

2016年(1)

2013年(1)

2012年(2)

2011年(2)

2010年(5)

2009年(3)

2008年(1)

2007年(4)

2006年(2)

2005年(4)

2004年(4)

2003年(2)

2002年(1)

2000年及以前(2)