THE BORANES B3H7 AND B6H14 - A THEORETICAL INVESTIGATION

被引：24

作者：

HORN, H

AHLRICHS, R

KOLMEL, C

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1988年 / 150卷 / 3-4期

关键词：

D O I：

10.1016/0009-2614(88)80039-3

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：263 / 268

页数：6

共 18 条

[1] THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL [J].

AHLRICHS, R ;

SCHARF, P ;

EHRHARDT, C .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (02) :890-898

[2] INFLUENCE OF ELECTRON CORRELATION ON REACTION ENERGIES - DIMERIZATION ENERGIES OF BH3 AND LIH [J].

AHLRICHS, R .

THEORETICA CHIMICA ACTA, 1974, 35 (01) :59-68

[3] IMPLEMENTATION OF AN ELECTRONIC-STRUCTURE PROGRAM SYSTEM ON THE CYBER 205 [J].

AHLRICHS, R ;

BOHM, HJ ;

EHRHARDT, C ;

SCHARF, P ;

SCHIFFER, H ;

LISCHKA, H ;

SCHINDLER, M .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1985, 6 (03) :200-208

[4]

AHLRICHS R, 1987, AB INITIO METHODS QU, V1

[5] PRINCIPLES FOR A DIRECT SCF APPROACH TO LCAO-MO ABINITIO CALCULATIONS [J].

ALMLOF, J ;

FAEGRI, K ;

KORSELL, K .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (03) :385-399

[6]

BRELLOCHS B, 1988, ANGEW CHEM, V100, P270

[7]

HASER M, IN PRESS J COMPUT CH

[8]

HAWTHORNE MF, 1967, CHEM BORON ITS COMPO, P223

[9]

HUZINAGA S, 1971, APPROXIMATE ATOMIC F, P44106

[10]

LIPSCOMB WN, 1966, BORON HYDRIDES, P154

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