A STUDY OF THE BE-2+-H2O SYSTEM BY MEANS OF ABINITIO CALCULATIONS

被引：32

作者：

PROBST, MM ^{[1
]}

LIMTRAKUL, JP ^{[1
]}

RODE, BM ^{[1
]}

机构：

[1] KASETSART UNIV, DEPT CHEM, BANGKOK 10903, THAILAND

来源：

CHEMICAL PHYSICS LETTERS | 1986年 / 132卷 / 4-5期

关键词：

D O I：

10.1016/0009-2614(86)80628-5

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：370 / 376

页数：7

共 26 条

[1]

[Anonymous], TOPICS CURR CHEM

[2] CORRELATION BETWEEN DEUTERON QUADRUPOLE COUPLING-CONSTANTS, O-H AND O-D STRETCHING FREQUENCIES AND HYDROGEN-BOND DISTANCES IN SOLID HYDRATES [J].

BERGLUND, B ;

LINDGREN, J ;

TEGENFELDT, J .

JOURNAL OF MOLECULAR STRUCTURE, 1978, 43 (02) :179-191

[3]

CLEMENTI E, 1976, LECTURE NOTES CHEM, V12

[4]

CLEMENTI E, 1980, LECTURE NOTES CHEM, V19

[5]

CONWAY BE, 1981, STUDIES PHYSICAL THE, V12, pCH7

[6]

CONWAY BE, 1981, STUDIES PHYSICAL THE, V12, P510

[7] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .16. DOUBLY CHARGED CATIONS INTERACTING WITH WATER [J].

CORONGIU, G ;

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (11) :4885-4887

[8] 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-+

[9] EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS [J].

DUPUIS, M ;

RYS, J ;

KING, HF .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (01) :111-116

[10] THE STRUCTURE OF ELECTROLYTE-SOLUTIONS [J].

ENDERBY, JE ;

NEILSON, GW .

REPORTS ON PROGRESS IN PHYSICS, 1981, 44 (06) :593-653

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