OPTIMIZED MINIMUM-BASIS-SET SCF CALCULATIONS ON BH3 AND B2H6

被引:45
作者
PALKE, WE
LIPSCOMB, WN
机构
关键词
D O I
10.1063/1.1727443
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
收藏
页码:3948 / &
相关论文
共 21 条
[1]  
BARNETT MP, 1963, METHODS COMPUTATIONA, V2, P95
[2]   ELECTRON-DIFFRACTION STUDY OF DIBORANE AND DEUTERODIBORANE [J].
BARTELL, LS ;
CARROLL, BL .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1135-+
[3]   MASS SPECTROMETRIC INVESTIGATION OF PYROLYSIS OF BORANES .4. DIBORANE [J].
BAYLIS, AB ;
PRESSLEY, GA ;
STAFFORD, FE .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (11) :2428-&
[4]   KINETICS OF PYROLYSIS OF DIBORANE [J].
BRAGG, JK ;
MCCARTY, LV ;
NORTON, FJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1951, 73 (05) :2134-2140
[5]   MOLECULAR ORBITALS OF DIBORANE IN TERMS OF A GAUSSIAN BASIS [J].
BURNELLE, L ;
KAUFMAN, JJ .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10P1) :3540-&
[6]   ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].
CLEMENTI, E ;
RAIMONDI, DL .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&
[7]   ELECTRONIC STRUCTURE OF BH3 [J].
CLINTON, WL ;
RICE, B .
JOURNAL OF CHEMICAL PHYSICS, 1958, 29 (02) :445-446
[8]   DIRECT DETECTION OF BORANE MOLECULE + BORYL RADICAL BY MASS SPECTROMETRY [J].
FEHLNER, TP ;
KOSKI, WS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1964, 86 (13) :2733-&
[9]   DISSOCIATION OF BH3CO INTO BH3 AND CO [J].
FEHLNER, TP ;
KOSKI, WS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1965, 87 (03) :409-&
[10]  
HAMILTON WC, 1956, P ROY SOC, VA235, P395