STABILITY AND BONDING OF DISILYNE AND ITS ISOMERS - A GENERALIZED VALENCE BOND-EFFECTIVE POTENTIAL STUDY

被引：45

作者：

SNYDER, LC ^{[1
]}

WASSERMAN, ZR ^{[1
]}

MOSKOWITZ, JW ^{[1
]}

机构：

[1] NYU,DEPT CHEM,NEW YORK,NY 10003

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1982年 / 21卷 / 03期

关键词：

D O I：

10.1002/qua.560210305

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

收藏

页码：565 / 579

页数：15

相关论文

共 31 条

[1] Bobrowicz F.W., 1977, MODERN THEORETICAL C, V3
[2] ELECTRONIC WAVE FUNCTIONS .1. A GENERAL METHOD OF CALCULATION FOR THE STATIONARY STATES OF ANY MOLECULAR SYSTEM
BOYS, SF
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 200 (1063): : 542 - 554
[3] AMORPHOUS SILICON SOLAR-CELL
CARLSON, DE
WRONSKI, CR
[J]. APPLIED PHYSICS LETTERS, 1976, 28 (11) : 671 - 673
[4] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
HEHRE, WJ
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) : 724 - +
[5] GODDARD WA, GVBONE COMPUTER PROG
[6] GODDARD WA, 1978, ANN REV PHYS CHEM
[7] GENERALIZED VALENCE BOND DESCRIPTION OF SIMPLE ALKANES, ETHYLENE, AND ACETYLENE
HAY, PJ
HUNT, WJ
GODDARD, WA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (24) : 8293 - &
[8] HEHRE WJ, 236 IND U QUANT CHEM
[9] ABINITIO EFFECTIVE CORE POTENTIALS - REDUCTION OF ALL-ELECTRON MOLECULAR-STRUCTURE CALCULATIONS TO CALCULATIONS INVOLVING ONLY VALENCE-ELECTRONS
KAHN, LR
BAYBUTT, P
TRUHLAR, DG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (10) : 3826 - 3853
[10] ONE-CONFIGURATION AND 2-CONFIGURATION HARTREE-FOCK LIMIT PREDICTIONS FOR SINGLET-TRIPLET SEPARATION IN METHYLENE AND SILYLENE
MEADOWS, JH
SCHAEFER, HF
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (15) : 4383 - 4386

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