AB-INITIO MOLECULAR-ORBITAL STUDY OF IMINOBORANE

被引：48

作者：

BAIRD, NC

DATTA, RK

机构：

来源：

INORGANIC CHEMISTRY | 1972年 / 11卷 / 01期

关键词：

D O I：

10.1021/ic50107a004

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

引用

页码：17 / &

共 17 条

[1] ELECTRONIC STRUCTURE OF AMINOBORANE - A COMPARISON BETWEEN NONEMPIRICAL AND SEMIEMPIRICAL THEORETICAL METHODS [J].

ARMSTRONG, DR ;

DUKE, BJ ;

PERKINS, PG .

JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1969, (17) :2566-+

[2] MOLECULAR ORBITAL CALCULATIONS FOR CONJUGATED MOLECULES CONTAINING BORON AND NITROGEN [J].

BAIRD, NC ;

WHITEHEAD, MA .

CANADIAN JOURNAL OF CHEMISTRY-BACK YEAR, 1967, 45 (18) :2059-+

[3] AN APPRAISAL OF VALENCE-BOND STRUCTURES AND HYBRIDIZATION IN COMPOUNDS OF THE 1ST-ROW ELEMENTS [J].

BENT, HA .

CHEMICAL REVIEWS, 1961, 61 (03) :275-311

[4] LOCALIZED ATOMIC AND MOLECULAR ORBITALS [J].

EDMISTON, C ;

RUEDENBERG, K .

REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :457-&

[5] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS [J].

HEHRE, WJ ;

STEWART, RF ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) :2657-+

[6] EXTENDED HUCKEL THEORY .3. COMPOUNDS OF BORON + NITROGEN [J].

HOFFMAN, R .

JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (09) :2474-&

[7]

LENNARDJONES J, 1951, P R SOC A, V201, P190

[8] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1. [J].

MULLIKEN, RS .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) :1833-1840

[9] BORON AZIDES AND BORON IMIDES [J].

PAETZOLD, P .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1967, 6 (06) :572-&

[10] COMPARISON OF MOLECULAR STRUCTURE AND SPECTRA OF BENZENE AND BORAZINE [J].

PEYERIMH.SD ;

BUENKER, RJ .

THEORETICA CHIMICA ACTA, 1970, 19 (01) :1-&

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