STRONGEST HYDROGEN-BOND - ABINITIO-LCAO-MO-SCF CALCULATIONS

被引：29

作者：

EMSLEY, J

HOYTE, OPA

OVERILL, RE

机构：

[1] UNIV LONDON,KINGS COLL,DEPT CHEM,LONDON WC2R 2LS,ENGLAND

[2] UNIV LONDON,KINGS COLL,COMP UNIT,LONDON WC2R 2LS,ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1977年 / 07期

关键词：

D O I：

10.1039/c39770000225

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：225 / 226

页数：2

共 18 条

[1]

CLARK JA, IN PRESS

[2] PROTON MAGNETIC-RESONANCE STUDIES OF FLUORIDE AND ACETATE SOLUTIONS IN GLACIAL ACETIC-ACID - SHIELDING AND THERMODYNAMICS OF STRONG HYDROGEN-BONDS [J].

CLARK, JH ;

EMSLEY, J .

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1973, (20) :2154-2159

[3] REACTIONS OF POTASSIUM FLUORIDE IN GLACIAL ACETIC-ACID WITH CHLOROCARBOXYLIC ACIDS, AMIDES, AND CHLORIDES - EFFECT OF VERY STRONG HYDROGEN-BONDING ON NUCLEOPHILICITY OF FLUORIDE ANION [J].

CLARK, JH ;

EMSLEY, J .

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1975, (20) :2129-2134

[4]

CLEMENTI E, 1973, J CHEM PHYSICS, V59, P5842

[5] HYDROGEN-BOND STRENGTH AND CHARGE-DISTRIBUTION IN BIFLUORIDE ION, HF2-. LATTICE ENERGIES OF LIHF2, NAHF2, KHF2, RBHF2, AND CSHF2 [J].

DIXON, HP ;

JENKINS, HDB .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (10) :4388-&

[6] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[7] CESIUM FLUORIDE SOLUTIONS IN CARBOXYLIC-ACIDS [J].

EMSLEY, J ;

HOYTE, OPA .

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1976, (21) :2219-2222

[8] SOLUTIONS OF POTASSIUM FLUORIDE IN GLACIAL ACETIC ACID [J].

EMSLEY, J .

JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1971, (17) :2702-&

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

HARRELL, SA ;

MCDANIEL, DH .

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

[10]

HEHRE WJ, 1971, GAUSSIAN70

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