LOCALIZED NATURAL ORBITALS OF UNSTABLE MOLECULES - OZONE

被引：23

作者：

YAMAGUCHI, K ^{[1
]}

OHTA, K ^{[1
]}

FUENO, T ^{[1
]}

机构：

[1] OSAKA UNIV,FAC ENGN SCI,DEPT CHEM,TOYONAKA,OSAKA 560,JAPAN

来源：

CHEMICAL PHYSICS LETTERS | 1977年 / 50卷 / 02期

关键词：

D O I：

10.1016/0009-2614(77)80178-4

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：266 / 270

页数：5

共 25 条

[1] SINGLE DETERMINANT WAVE FUNCTIONS
AMOS, AT
HALL, GG
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 263 (1312) : 483 - +
[2] MOLECULAR CHARGE DISTRIBUTIONS AND CHEMICAL BINDING .2. FIRST-ROW DIATOMIC HYDRIDES AH
BADER, RFW
KEAVENY, I
CADE, PE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (09) : 3381 - &
[3] Localized orbitals for arbitrary molecular wave functions
Certain, P. R.
Hirschfelder, J. O.
[J]. CHEMICAL PHYSICS LETTERS, 1968, 2 (05) : 274 - 276
[4] MNDO STUDY OF OZONE AND ITS DECOMPOSITION INTO (O2+O)
DEWAR, MJS
OLIVELLA, S
RZEPA, HS
[J]. CHEMICAL PHYSICS LETTERS, 1977, 47 (01) : 80 - 84
[5] LOCALIZED ATOMIC AND MOLECULAR ORBITALS
EDMISTON, C
RUEDENBERG, K
[J]. REVIEWS OF MODERN PHYSICS, 1963, 35 (03) : 457 - &
[6] GENERALIZED VALENCE BOND DESCRIPTION OF BONDING IN LOW-LYING STATES OF MOLECULES
GODDARD, WA
DUNNING, TH
HUNT, WJ
HAY, PJ
[J]. ACCOUNTS OF CHEMICAL RESEARCH, 1973, 6 (11) : 368 - 376
[7] STRONGLY BENT EXCITED-STATES OF OZONE
GRIMBERT, D
DEVAQUET, A
[J]. MOLECULAR PHYSICS, 1974, 27 (04) : 831 - 836
[8] SELF-CONSISTENT PROCEDURES FOR GENERALIZED VALENCE BOND WAVEFUNCTIONS - APPLICATIONS H-3, BH, H2O, C2H6, AND O2
HUNT, WJ
HAY, PJ
GODDARD, WA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (02) : 738 - &
[9] THE MOLECULAR ORBITAL THEORY OF CHEMICAL VALENCY .16. A THEORY OF PAIRED-ELECTRONS IN POLYATOMIC MOLECULES
HURLEY, AC
LENNARDJONES, J
POPLE, JA
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1953, 220 (1143): : 446 - 455
[10] DIRECT DETERMINATION OF NATURAL ORBITALS + NATURAL EXPANSION COEFFICIENTS OF MANY-ELECTRON WAVEFUNCTIONS .1. NATURAL ORBITALS IN GEMINAL PRODUCT APPROXIMATION
KUTZELNIGG, W
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (12) : 3640 - &

← 1 2 3 →