THEORETICAL CONFORMATIONAL-ANALYSIS OF LEWIS ACID BASE COMPLEXES .3. SEMIEMPIRICAL APPROACH (CNDO/2 METHOD) TO GEOMETRIES AND CONFORMATIONAL-ANALYSIS OF BORAZANE AND ITS PERFLUORO DERIVATIVES

被引：18

作者：

BACH, MC

CRASNIER, F

LABARRE, JF

LEIBOVICI, C

机构：

[1] UNIV PAUL SABATIER, LAB CHIM COORDINATION, CNRS, TOULOUSE 31400, FRANCE

[2] SOCIETE NATL PETROLES AQUITAINE TRAITEMENT INFORMA, PAU 64000, FRANCE

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1973年 / 16卷 / 01期

关键词：

D O I：

10.1016/0022-2860(73)80044-4

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：89 / 97

页数：9

共 27 条

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[12] MICROWAVE SPECTRUM STRUCTURE DIPOLE MOMENT AND BARRIER TO INTERNAL ROTATION OF PHOSPHORUS TRIFLUORIDE-BORANE
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[13] ELECTRON-STRUCTURE OF LEWIS BASE-ACID COMPLEXES .1. ELECTRON-STRUCTURE AND MOLECULAR CONFORMATION OF MOLECULES F3P.BH3 AND F2HP.BH3
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[14] ELECTRON STRUCTURE AND CONFORMATION OF TRIFLUORAMINE OXIDE F3NO
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[15] QUANTUM MECHANICAL CALCULATIONS ON BARRIERS TO INTERNAL ROTATION .2. BORAZANE MOLECULE BH3-NH3
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VEILLARD, A
[J]. THEORETICA CHIMICA ACTA, 1968, 11 (04): : 344 - &
[16] CALCULATION OF INTERNAL-ROTATION BARRIER AND ITS DERIVATIVES IN BH3NH3
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) : 5308 - &
[17] THEORETICAL CONFORMATIONAL ANALYSIS OF CYCLOPROPANECARBALDEHYDE, CYCLOPROPYLMETHYKETONE AND CIS AND TRANS 2-METHYL-L-CYCLOPROPYLMETHYL KETONES
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SERAFINI, A
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LABARRE, JF
[J]. TETRAHEDRON, 1971, 27 (14) : 3271 - +
[18] FURTHER STUDY OF UMBRELLA VS BRIDGED GEOMETRIES - SCF-MO AND CI CALCULATIONS FOR C2H6++ AND AMMONIA BORANE
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BUENKER, RJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (01) : 312 - &
[19] ELECTRON-DIFFRACTION INVESTIGATION OF MOLECULAR STRUCTURE OF TRIFLUORAMINE OXIDE, F3NO
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HARTFORD, WD
HEDBERG, K
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (09) : 3488 - &
[20] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (09) : 3289 - &

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