AB-INITIO SELF-CONSISTENT FIELD CALCULATION OF ENERGIES OF FORMATION OF B2H6 AND B2H7

被引：50

作者：

HALL, JH

MARYNICK, DS

LIPSCOMB, WN

机构：

来源：

INORGANIC CHEMISTRY | 1972年 / 11卷 / 12期

关键词：

D O I：

10.1021/ic50118a056

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

引用

收藏

页码：3126 / &

相关论文

共 22 条

[11] AB-INITIO CALCULATIONS ON SMALL HYDRIDES INCLUDING ELECTRON CORRELATION .3. A STUDY OF VALENCE SHELL INTRAPAIR AND INTERPAIR CORRELATION ENERGY OF SOME FIRST ROW HYDRIDES
JUNGEN, M
AHLRICHS, R
[J]. THEORETICA CHIMICA ACTA, 1970, 17 (05): : 339 - &
[12] COMPARISON OF DIBORANE MOLECULAR PROPERTIES FROM MINIMUM BASIS SET AND EXTENDED SLATER ORBITAL WAVE-FUNCTIONS
LAWS, EA
STEVENS, RM
LIPSCOMB, WN
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (13) : 4461 - &
[13] Lipscomb W.N., 2012, BORON HYDRIDES
[14] ABSOLUTE RATE OF ASSOCIATION OF BORANE MOLECULES
MAPPES, GW
FRIDMANN, SA
FEHLNER, TP
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1970, 74 (18) : 3307 - &
[15] MARYNICK DS, UNPUBLISHED RESULTS
[16] OPTIMIZED MINIMUM-BASIS-SET SCF CALCULATIONS ON BH3 AND B2H6
PALKE, WE
LIPSCOMB, WN
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (11) : 3948 - &
[17] NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY
ROOTHAAN, CCJ
[J]. REVIEWS OF MODERN PHYSICS, 1951, 23 (02) : 69 - 89
[18] SCHAEFER HF, 1972, ELECTRONIC STRUCTURE, P348
[19] STEVENS RM, 1970, J CHEM PHYS, V52, P1937
[20] LOCALIZED BONDS IN SCF WAVEFUNCTIONS FOR POLYATOMIC MOLECULES .I. DIBORANE
SWITKES, E
STEVENS, RM
LIPSCOMB, WN
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (05) : 2085 - &