STEREOCHEMICAL RIGIDITY AND ISOMERIZATION IN B4H4 AND B4F4 - THEORETICAL-STUDY

被引：26

作者：

KLEIER, DA

BICERANO, J

LIPSCOMB, WN

机构：

[1] UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545

[2] HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138

来源：

INORGANIC CHEMISTRY | 1980年 / 19卷 / 01期

关键词：

D O I：

10.1021/ic50203a043

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

引用

页码：216 / 218

页数：3

共 17 条

[1] BOND INDEXES AND VALENCY [J].

ARMSTRONG, DR ;

PERKINS, PG ;

STEWART, JJP .

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1973, (08) :838-840

[2]

BOYS SF, 1966, QUANTUM THEORY ATOMS, P253

[3] CANONICAL CONFIGURATIONAL INTERACTION PROCEDURE [J].

FOSTER, JM ;

BOYS, SF .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :300-302

[4]

Guest M. F., 1974, Journal of the Chemical Society Faraday Transactions II, V70, P398, DOI 10.1039/f29747000398

[5] SELF-CONSISTENT-FIELD WAVEFUNCTIONS FOR COMPLEX MOLECULES - APPROXIMATION OF PARTIAL RETENTION OF DIATOMIC DIFFERENTIAL OVERLAP [J].

HALGREN, TA ;

LIPSCOMB, WN .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (04) :1569-1591

[6] SYNCHRONOUS-TRANSIT METHOD FOR DETERMINING REACTION PATHWAYS AND LOCATING MOLECULAR TRANSITION-STATES [J].

HALGREN, TA ;

LIPSCOMB, WN .

CHEMICAL PHYSICS LETTERS, 1977, 49 (02) :225-232

[7] SPEED AND ACCURACY IN MOLECULAR-ORBITAL CALCULATIONS - COMPARISON OF CNDO-2, INDO, PRDDO, STO-3G, AND OTHER METHODS, INCLUDING AAMOM, VRDDO, AND ESE MO [J].

HALGREN, TA ;

KLEIER, DA ;

HALL, JH ;

BROWN, LD ;

LIPSCOMB, WN .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (21) :6595-6608

[8] LOCALIZED ORBITALS IN BORON FLUORIDES - HIGHLY POLARIZED BORON-FLUORINE DOUBLE AND TRIPLE BONDS [J].

HALL, JH ;

HALGREN, TA ;

KLEIER, DA ;

LIPSCOMB, WN .

INORGANIC CHEMISTRY, 1974, 13 (10) :2520-2521

[9] SELF-CONSISTENT PROCEDURES FOR GENERALIZED VALENCE BOND WAVEFUNCTIONS - APPLICATIONS H-3, BH, H2O, C2H6, AND O2 [J].

HUNT, WJ ;

HAY, PJ ;

GODDARD, WA III .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (02) :738-+

[10] FLUXIONAL BEHAVIOR IN B8H82- - THEORETICAL-STUDY [J].

KLEIER, DA ;

LIPSCOMB, WN .

INORGANIC CHEMISTRY, 1979, 18 (05) :1312-1318

← 1 2 →