GEOMETRY OPTIMIZED AB-INITIO CALCULATIONS ON 1,5 AND 1,2-DICARBA-CLOSO-PENTABORANE (5)

被引：12

作者：

FITZPATRICK, NJ ^{[1
]}

FANNING, MO ^{[1
]}

机构：

[1] NATL UNIV IRELAND,UNIV COLL DUBLIN,DEPT CHEM,DUBLIN,IRELAND

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1977年 / 40卷 / 02期

关键词：

D O I：

10.1016/0022-2860(77)80029-X

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：271 / 277

页数：7

共 11 条

[1]

BURG AB, 1972, INORG CHEM, V8, P1962

[2] CNDO/2 CALCULATIONS OF SOME CARBORANES [J].

CHEUNG, CCS ;

BEAUDET, RA ;

SEGAL, GA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (14) :4158-&

[3] PHOTOELECTRON-SPECTROSCOPY OF CLOSO-CARBORANES - OBSERVATION OF EXO-POLYHEDRAL MOLECULAR-ORBITALS [J].

FEHLNER, TP .

INORGANIC CHEMISTRY, 1975, 14 (04) :934-938

[4] CARBORANE FORMATION IN ALKYNE-BORANE GAS-PHASE SYSTEMS .3. FLASH REACTIONS OF SMALL BORANES [J].

GRIMES, RN ;

BRAMLETT, CL ;

VANCE, RL .

INORGANIC CHEMISTRY, 1969, 8 (01) :55-&

[5] A NEW ISOMER OF C2B3H5 C,3-DIMETHYL-1,2-DICARBACLOVOPENTABORANE(5) [J].

GRIMES, RN .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (05) :1070-&

[6] MULTICENTER BONDING IN CARBORANES - AB-INITIO AND SEMIEMPIRICAL MOLECULAR-ORBITAL STUDY [J].

GUEST, MF ;

HILLIER, IH .

MOLECULAR PHYSICS, 1973, 26 (02) :435-452

[7] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .3. AB-INITIO STUDIES OF CHARGE DISTRIBUTION USING A MINIMAL SLATER-TYPE BASIS [J].

HEHRE, WJ ;

POPLE, JA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (08) :2191-+

[8]

HEHRE WJ, QCPE236 PROGR

[9]

KOETZLE TF, 1970, INORG CHEM, V12, P2743

[10] MOLECULAR-STRUCTURE OF 1,5-DICARBA-CLOSO-PENTABORANE(5) AND 1,6-DICARBA-CLOSO-HEXABORANE(6), BY GAS-PHASE ELECTRON-DIFFRACTION [J].

MCNEILL, EA ;

GALLAHER, KL ;

SCHOLER, FR ;

BAUER, SH .

INORGANIC CHEMISTRY, 1973, 12 (09) :2108-2111

← 1 2 →