ABINITIO STUDIES OF CHEMICAL-EQUILIBRIA - APPLICATION OF MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY UP TO 3RD ORDER TO PROTON AFFINITY OF WATER

被引：9

作者：

KELLO, V

URBAN, M

HUBAC, I

CARSKY, P

机构：

[1] SLOVAK UNIV TECHNOL BRATISLAVA, FAC CHEM, DEPT MATH, CS-88037 BRATISLAVA, CZECHOSLOVAKIA

[2] CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA

来源：

CHEMICAL PHYSICS LETTERS | 1978年 / 58卷 / 01期

关键词：

D O I：

10.1016/0009-2614(78)80321-2

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：83 / 86

页数：4

共 30 条

[1]

AHLRICHS R, 1977, COMMUNICATION

[2] COMPARISON OF HIGH-ORDER MANY-BODY PERTURBATION-THEORY AND CONFIGURATION INTERACTION FOR H2O [J].

BARTLETT, RJ ;

SHAVITT, I .

CHEMICAL PHYSICS LETTERS, 1977, 50 (02) :190-198

[3] CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].

BOYS, SF ;

BERNARDI, F .

MOLECULAR PHYSICS, 1970, 19 (04) :553-&

[4]

CARSKY P, COLLECT CZECH CHEM C

[5] PROTON AFFINITY OF WATER [J].

CHONG, SL ;

FRANKLIN, JL ;

MYERS, RA .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) :2427-&

[6] REACTION OF D3O+ WITH D2 - PROTON AFFINITY OF WATER [J].

COTTER, RJ ;

KOSKI, WS .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (02) :784-787

[7] AB-INITIO LCAO-MO-SCF STUDY OF REACTION PATHS FOR PROTON-TRANSFER IN AMMONIUM AQUEOUS-SOLUTION [J].

DELPUECH, JJ ;

SERRATRICE, G ;

STRICH, A ;

VEILLARD, A .

MOLECULAR PHYSICS, 1975, 29 (03) :849-871

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

DEPAZ, M ;

LEVENTHAL, JJ ;

FRIEDMAN, L .

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

[9] SCF-CI STUDIES OF CORRELATION EFFECTS ON HYDROGEN-BONDING AND ION HYDRATION - SYSTEMS - H2O,H+ . H2O, LI+ . H2O, F- . H2O, AND H2O . H2O [J].

DIERCKSEN, GHF ;

KRAEMER, WP ;

ROOS, BO .

THEORETICA CHIMICA ACTA, 1975, 36 (04) :249-274

[10] 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-+

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