CARB 17-Cooperativity effect of hydrogen bonding interactions in native celluloses from ab initio calculations

被引：0

作者：

Qian, Xianghong ^{[1
]}

机构：

[1] Colorado State Univ, Dept Mech Engn, Ft Collins, CO 80523 USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2008年 / 235卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

17-CARB

引用

页数：1

共 50 条

[41] Ab-Initio Molecular Dynamics Simulations and Calculations of Spectroscopic Parameters in Hydrogen-Bonding Liquids in Confinement
Sebastiani, Daniel
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 2018, 232 (7-8): : 973 - 987
[42] Ion-specificity for hydrogen-bonding hydration of polymer: an approach by ab initio molecular orbital calculations
Muta, H
Kojima, R
Kawauchi, S
Tachibana, A
Satoh, M
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2001, 536 (2-3): : 219 - 226
[43] Si-F bonding in aluminosilicate glasses: Inferences from ab initio NMR calculations
Liu, Y
Nekvasil, H
AMERICAN MINERALOGIST, 2002, 87 (2-3) : 339 - 346
[44] PHYS 665-From photoelectron spectroscopy and ab initio calculations to chemical bonding models
Boldyrev, Alexander I.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2008, 235
[45] Hydrogen bonding: Ab initio accuracy from fast interatomic Gaussian approximation potentials
Oeren, Mario
Csanyi, Gabor
Ponting, David
Hunt, Peter
Segall, Matthew
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 256
[46] Interactions of foreign interstitial and substitutional atoms in bcc iron from ab initio calculations
You, Y.
Yan, M. F.
PHYSICA B-CONDENSED MATTER, 2013, 417 : 57 - 69
[47] Hydrogen passivation of vacancies in diamond: Electronic structure and stability from ab initio calculations
Kamil Czelej
Piotr Śpiewak
MRS Advances, 2017, 2 (5) : 309 - 314
[48] Semiempirical calculations of O-H N-H and C-H hydrogen-bonding interactions. A comparison with high quality ab initio calculations.
Dannenberg, JJ
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 211 : 150 - COMP
[49] Characterization of aromatic-thiol π-type hydrogen bonding and phenylalanine-cysteine side chain interactions through ab initio calculations and protein database analyses
Duan, GL
Smith, VH
Weaver, DF
MOLECULAR PHYSICS, 2001, 99 (19) : 1689 - 1699
[50] Ion-specificity for hydrogen-bonding hydration of polymer: an approach by ab initio molecular orbital calculations II
Muta, H
Sin, T
Yamanaka, A
Kawauchi, S
Satoh, M
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2001, 574 : 195 - 211

← 1 2 3 4 5 →