THERMOCHEMICAL DATA FROM ABINITIO CALCULATIONS .2. TOTAL CORRELATION ENERGIES, SCHRODINGER ENERGIES, AND THEORETICAL HEATS OF FORMATION

被引：42

作者：

CREMER, D

机构：

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1982年 / 3卷 / 02期

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D O I：

10.1002/jcc.540030207

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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页码：165 / 177

页数：13

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[1] Bailey P. S., 1978, OZONATION ORGANIC CH, VI
[2] Benson S.W., 1976, THERMOCHEMICAL KINET, P266
[3] ADDITIVITY RULES FOR ESTIMATION OF THERMOCHEMICAL PROPERTIES
BENSON, SW
CRUICKSHANK, FR
GOLDEN, DM
HAUGEN, GR
ONEAL, HE
RODGERS, AS
SHAW, R
WALSH, R
[J]. CHEMICAL REVIEWS, 1969, 69 (03) : 279 - +
[4] BETHE HA, 1957, QUANTUM MECHANICS ON
[5] MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES
BINKLEY, JS
POPLE, JA
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1975, 9 (02) : 229 - 236
[6] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH
CADE, PE
HUO, WM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) : 614 - &
[7] CHRISTOF.RE, 1971, CHEM PHYS LETT, V8, P4, DOI 10.1016/0009-2614(71)80561-4
[8] CORRELATION ENERGY FOR ATOMIC SYSTEMS
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (09) : 2248 - &
[9] COX JD, 1970, THERMOCHEMISTRY ORGA
[10] THEORETICAL DETERMINATION OF MOLECULAR-STRUCTURE AND CONFORMATION .8. ENERGETICS OF THE OZONOLYSIS REACTION - PRIMARY OZONIDE VS CARBONYL OXIDE CONTROL OF STEREOCHEMISTRY
CREMER, D
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (13) : 3627 - 3633

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