Ab initio computational analysis of alkali metal binding to Wurster's azacrown ethers

被引：0

作者：

Mosley, BJ ^{[1
]}

Sibert, JW ^{[1
]}

Wilkerson, JV ^{[1
]}

Cheek, CA ^{[1
]}

Sargent, AL ^{[1
]}

机构：

[1] E Carolina Univ, Dept Chem, Greenville, NC 27858 USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1999年 / 217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：

219-CHED

引用

页码：U369 / U369

页数：1

共 50 条

[41] Ab initio investigation of the effect of pressure on the structure and electronic properties of alkali metal oxides and peroxides
M. V. Aleinikova
Yu. N. Zhuravlev
D. V. Korabelnikov
Russian Physics Journal, 2012, 55 : 495 - 500
[42] Ab initio studies of structural, electronic, magnetic and mechanical properties of alkali earth metal silicides
Verma, U. P.
Mohini
Bisht, P. S.
Jensen, Per
SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2010, 25 (10)
[43] Isomerism and vibrational spectra of alkali metal perrhenates:: Ab initio CISD plus Q calculations
Solomonik, VG
Marenich, AV
JOURNAL OF STRUCTURAL CHEMISTRY, 2001, 42 (06) : 914 - 919
[44] Isomerism and Vibrational Spectra of Alkali Metal Perrhenates: Ab Initio CISD+Q Calculations
V. G. Solomonik
A. V. Marenich
Journal of Structural Chemistry, 2001, 42 : 914 - 919
[45] Ab initio investigation of the effect of pressure on the structure and electronic properties of alkali metal oxides and peroxides
Aleinikova, M. V.
Zhuravlev, Yu. N.
Korabelnikov, D. V.
RUSSIAN PHYSICS JOURNAL, 2012, 55 (05) : 495 - 500
[46] Sigma versus Pi interactions in alkali metal ion binding to azoles: Threshold collision-induced dissociation and ab initio theory studies
Huang, H
Rodgers, MT
JOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (16): : 4277 - 4289
[47] Synthesis and alkali metal binding properties of novel N-adamantylaza-crown ethers
Mlinaric-Majerski, K
Ramljak, TS
TETRAHEDRON, 2002, 58 (24) : 4893 - 4898
[48] Ab initio study of dihydrogen binding in metal-decorated polyacetylene for hydrogen storage
Lee, Hoonkyung
Choi, Woon Ih
Nguyen, Manh Cuong
Cha, Moon-Hyun
Moon, Eungook
Ihm, Jisoon
PHYSICAL REVIEW B, 2007, 76 (19)
[49] Ab initio simulation of chemical shift effects from metal ion binding in bacitracin A
Drablos, F
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2000, 21 (01) : 1 - 7
[50] Solvation at metal/water interfaces: An ab initio molecular dynamics benchmark of common computational approaches
Heenen, Hendrik H.
Gauthier, Joseph A.
Kristoffersen, Henrik H.
Ludwig, Thomas
Chan, Karen
JOURNAL OF CHEMICAL PHYSICS, 2020, 152 (14):

← 1 2 3 4 5 →