SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATIONS OF THE INFRARED BAND INTENSITIES OF SOME SIMPLE POLYATOMIC-MOLECULES .1. FLUORINATED AND CHLORINATED METHANES AND SILANES

被引：14

作者：

BUNNELL, J ^{[1
]}

CRAFFORD, BC ^{[1
]}

FORD, TA ^{[1
]}

机构：

[1] UNIV WITWATERSRAND,DEPT CHEM,JOHANNESBURG 2001,SOUTH AFRICA

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1980年 / 61卷 / JAN期

关键词：

D O I：

10.1016/0022-2860(80)85167-2

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：383 / 396

页数：14

共 17 条

[1] SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS OF THE INFRARED BAND INTENSITIES OF SOME SIMPLE POLYATOMIC-MOLECULES .2. BROMINATED METHANES AND SILANES, DIFLUOROSILANE AND DICHLOROSILANE
BUNNELL, J
FORD, TA
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1986, 42 (04): : 543 - 550
[2] SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS OF THE INFRARED BAND INTENSITIES OF SOME SIMPLE POLYATOMIC-MOLECULES .3. HALOGENATED GERMANES
BUNNELL, J
FORD, TA
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1986, 42 (04): : 551 - 556
[3] SPECTRA OF SOME SELECTED THIONES - SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATIONS
ABUEITTAH, R
ELKOURASHY, A
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 1976, 14 (01): : 6 - 9
[4] SIMULATED SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATIONS .1. TRANSFERABILITY OF FOCK MATRIX-ELEMENTS
BAN, MI
BALINT, I
REVESZ, M
ACTA PHYSICA ET CHEMICA, 1979, 25 (3-4): : 113 - 127
[5] MOLECULAR VIBRATIONAL-CONSTANTS OF SOME SIMPLE POLYATOMIC-MOLECULES - VALENCE FORCE-CONSTANTS AND COMPLIANCE CONSTANTS OF SOME HALOGENATED METHANES, SILANES AND GERMANES
ARON, J
BUNNELL, J
FORD, TA
MERCAU, N
AROCA, R
ROBINSON, EA
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1984, 19 (3-4): : 361 - 379
[6] STUDY OF CONFORMATION OF ANION RADICALS OF SOME THERMOCHROMIC ETHYLENES BY ELECTRON-SPIN RESONANCE SPECTROSCOPY AND SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATIONS
KAZAMA, S
KAMIYA, M
AKAHORI, Y
CHEMICAL & PHARMACEUTICAL BULLETIN, 1981, 29 (11) : 3375 - 3378
[7] SEMI-EMPIRICAL MOLECULAR-ORBITAL STUDIES ON THE ELECTRONIC-STRUCTURE OF MOLECULES IN EXCITED-STATES - THE INDO/2-VN-1 POTENTIAL MODEL .1.
BANERJEE, M
BHATTACHARYYA, SP
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1982, 4 (01): : 31 - 41
[8] LARGE UNIT-CELL SEMI-EMPIRICAL MOLECULAR-ORBITAL APPROACH TO THE PROPERTIES OF SOLIDS .1. GENERAL-THEORY
HARKER, AH
LARKINS, FP
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1979, 12 (13): : 2487 - 2495
[9] SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATIONS OF THE ELECTRONIC-PROPERTIES OF 1-1 AND 2-1 HYDROGEN-BONDED COMPLEXES OF WATER WITH SOME OXYGEN BASES
PAUL, SO
FORD, TA
SOUTH AFRICAN JOURNAL OF CHEMISTRY, 1988, 41 (03) : 108 - 114
[10] SEMI-EMPIRICAL VERSUS ABINITIO CALCULATIONS OF MOLECULAR-PROPERTIES .1. DIAMAGNETIC SUSCEPTIBILITIES AND QUADRUPOLE-MOMENTS IN SOME MEDIUM SIZE MOLECULES
GRAOVAC, A
MAKSIC, ZB
RUPNIK, K
VESELI, A
CROATICA CHEMICA ACTA, 1977, 49 (04) : 695 - 707

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