SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS OF THE INFRARED BAND INTENSITIES OF SOME SIMPLE POLYATOMIC-MOLECULES .2. BROMINATED METHANES AND SILANES, DIFLUOROSILANE AND DICHLOROSILANE

被引：6

作者：

BUNNELL, J ^{[1
]}

FORD, TA ^{[1
]}

机构：

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

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 1986年 / 42卷 / 04期

关键词：

D O I：

10.1016/0584-8539(86)80052-6

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

引用

页码：543 / 550

页数：8

共 10 条

[1] 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
[2] SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATIONS OF THE INFRARED BAND INTENSITIES OF SOME SIMPLE POLYATOMIC-MOLECULES .1. FLUORINATED AND CHLORINATED METHANES AND SILANES
BUNNELL, J
CRAFFORD, BC
FORD, TA
JOURNAL OF MOLECULAR STRUCTURE, 1980, 61 (JAN) : 383 - 396
[3] MOLECULAR VIBRATIONAL-CONSTANTS OF SOME SIMPLE POLYATOMIC-MOLECULES - DIFLUOROSILANE AND DICHLOROSILANE, DICHLOROGERMANE AND DIBROMOGERMANE, AND TRICHLOROGERMANE
BUNNELL, J
FORD, TA
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1983, 11 (3-4): : 227 - 240
[4] 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
[5] VIBRATIONAL PROPERTIES OF POLYATOMIC-MOLECULES BY QUANTUM CHEMICAL METHODS .2. CALCULATIONS OF MOLECULAR-FORCE FIELDS AND INFRARED INTENSITIES IN METHYL HALIDES
BENLAKDAR, T
TAILLANDIER, E
BERTHIER, G
MOLECULAR PHYSICS, 1980, 39 (04) : 881 - 894
[6] ABINITIO MOLECULAR-ORBITAL CALCULATIONS OF THE INFRARED-SPECTRA OF INTERACTING WATER-MOLECULES .2. COMPLEXES OF WATER WITH CARBON-MONOXIDE AND NITROGEN
MOKOMELA, TD
RENCKEN, I
YEO, GA
FORD, TA
JOURNAL OF MOLECULAR STRUCTURE, 1992, 275 : 33 - 54
[7] THE STRUCTURES OF SOME SMALL MOLECULES - ABINITIO MOLECULAR-ORBITAL CALCULATIONS VERSUS LOW-TEMPERATURE NEUTRON-DIFFRACTION CRYSTAL-STRUCTURES .2.
JEFFREY, GA
JOURNAL OF MOLECULAR STRUCTURE, 1985, 130 (1-2) : 43 - 53
[8] AB-INITIO MOLECULAR-ORBITAL CALCULATIONS OF THE INFRARED-SPECTRA OF INTERACTING WATER-MOLECULES .4. INTERACTION ENERGIES AND BAND INTENSITIES OF THE COMPLEXES OF WATER WITH CARBON-DIOXIDE AND NITROUS-OXIDE
COX, AJ
FORD, TA
GLASSER, L
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1994, 118 (01): : 101 - 108
[9] ABINITIO AND LOCALIZED MOLECULAR-ORBITAL STUDIES OF THE INTEGRATED-INTENSITIES OF INFRARED-ABSORPTION BANDS OF POLYATOMIC-MOLECULES .5. MINIMAL-BASIS-SET AND EXTENDED-BASIS-SET RESULTS FOR THE PYRAMIDAL AX3 SERIES (A=N, P, X=H, F)
FIGEYS, HP
BERCKMANS, D
GEERLINGS, P
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1981, 77 : 2091 - 2103
[10] ABINITIO AND LOCALIZED MOLECULAR-ORBITAL STUDIES OF THE INTEGRATED-INTENSITIES OF INFRARED-ABSORPTION BANDS OF POLYATOMIC-MOLECULES .4. COMPLEXES BETWEEN CHLOROFORM AND 3 ALIPHATIC NITRILES (CH3CN, CCL3CN AND HCCCN) - INFLUENCE OF HYDROGEN-BONDING ON THE CH AND CN INFRARED CHARACTERISTICS IN PROTON DONOR AND ACCEPTOR MOLECULESOR
FIGEYS, HP
GEERLINGS, P
BERCKMANS, D
VANALSENOY, C
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1981, 77 : 721 - 740

← 1 →