LCAO-MO-SCF-CALCULATIONS ON STABILITY AND STEREOCHEMISTY OF HYDROGEN BONDS .6. LCAO-MO-CALCULATION ON MOLECULAR STRUCTURE

被引：101

作者：

SCHUSTER, P

机构：

来源：

THEORETICA CHIMICA ACTA | 1970年 / 19卷 / 02期

关键词：

D O I：

10.1007/BF01185862

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：212 / &

共 25 条

[1]

BRATOZ S, 1967, ADV QUANTUM CHEM, V3, P209

[2] STUDY OF H+ AND OH- HYDRATED IONS BY CNDO/2 METHOD [J].

DEPAZ, M ;

EHRENSON, S ;

FRIEDMAN, L .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (07) :3362-&

[3] TANDEM-MASS-SPECTROMETER STUDY OF SOLVATED DERIVATIVES OF OD-. TOTAL HYDRATION ENERGY OF PROTON [J].

DEPAZ, M ;

GIARDINI, AG ;

FRIEDMAN, L .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (02) :687-&

[4] TANDEM MASS-SPECTROMETER STUDY OF D3O+ AND SOLVATED DERIVATIVES [J].

DEPAZ, M ;

LEVENTHAL, JJ ;

FRIEDMAN, L .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (09) :3748-+

[5]

DONOHUE J, 1968, SELECTED TOPICS HYDR, P433

[6] STRONG HYDROGEN BONDS .2. HYDROGEN DIFLUORIDE ION [J].

HARRELL, SA ;

MCDANIEL, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1964, 86 (20) :4497-&

[7] THEORETICAL STUDY ON PROTON AFFINITY OF SMALL MOLECULES USING GAUSSIAN BASIS SETS IN LCAO-MO-SCF FRAMEWORK [J].

HOPKINSO.AC ;

HOLBROOK, NK ;

YATES, K ;

CSIZMADI.IG .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (08) :3596-&

[8] SEMIEMPIRICAL QUANTUM MECHANICAL STUDIES ON SOME HYDROGEN BONDED SYSTEMS [J].

HOYLAND, JR ;

KIER, LB .

THEORETICA CHIMICA ACTA, 1969, 15 (01) :1-+

[9]

Kollman P. A., 1970, J AM CHEM SOC, V92, P753, DOI [10.1021/ja00707a002, DOI 10.1021/JA00707A002]

[10]

Kumar V, 1963, I THEORETICAL P INDI, V58, P29

← 1 2 3 →