METHOD FOR CALCULATING CNDO-MO BONDING PARAMETERS .2. PRELIMINARY APPLICATIONS

被引：5

作者：

BHATTACHARYYA, SP ^{[1
]}

CHOWDHURY, M ^{[1
]}

机构：

[1] INDIAN ASSOC CULTIVAT SCI,DEPT PHYS CHEM,CALCUTTA 700032,INDIA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1977年 / 81卷 / 16期

关键词：

D O I：

10.1021/j100531a018

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：1602 / 1604

页数：3

共 50 条

[1] METHOD FOR CALCULATING CNDO-MO BONDING PARAMETERS .1.
BHATTACHARYYA, SP
CHOWDHURY, M
JOURNAL OF PHYSICAL CHEMISTRY, 1977, 81 (16) : 1598 - 1602
[2] UNRESTRICTED CNDO-MO CALCULATIONS .2. MNO2-/4 AND CRO3-/4
COPELAND, DA
THEORETICA CHIMICA ACTA, 1973, 32 (01): : 41 - 47
[3] APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .2. CNDO-MO CALCULATION OF METHANE CHLORINE DERIVATIVES
CHEN, SC
CHEN, C
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 1975, 22 (03) : 215 - 223
[4] SCF-MO-CNDO STUDY OF EQUILIBRIUM GEOMETRIES, FORCE CONSTANTS, AND BONDING ENERGIES - CNDO/BW .2. DIATOMICS
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JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1972, (01): : 78 - &
[5] SEMI-EMPIRICAL ALL VALENCE ELECTRONS SCF-MO-CNDO THEORY .2. INTERATOMIC PARAMETERS AND BONDING ENERGIES
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[6] A CNDO-MO THEORETIC ANALYSIS OF METAL-LIGAND BONDING - SIGMA-ACCEPTOR ABILITY OF SOME TRANSITION-METAL IONS
BHATTACHARYYA, SP
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 1980, 19 (04): : 290 - 294
[7] UNRESTRICTED CNDO-MO CALCULATIONS FOR MNO4(2-) AND CRO4(3-)
COPELAND, DA
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1973, : 38 - +
[8] REFINEMENT OF SAVE-SCF-MO-CNDO THEORY .I. BONDING PARAMETERS
BOYD, RJ
WHITEHEA.MA
JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1969, (17): : 2598 - &
[9] RECTANGULAR FLANGES ASSEMBLY CALCULATION .2. CALCULATING METHOD APPLICATIONS
JINESCU, VV
PAUNESCU, M
TACA, C
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REVISTA DE CHIMIE, 1991, 42 (10-12): : 558 - 564
[10] CALCULATING THE ELECTRONIC-STRUCTURE OF PROTONATED ETHYLENE-OXIDE BY THE SCF-MO LCAO CNDO/BW METHOD
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JOURNAL OF STRUCTURAL CHEMISTRY, 1985, 26 (01) : 112 - 114

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