ABINITIO STUDY OF THE ALKALI AND ALKALINE-EARTH MONOHYDROXIDES

被引:132
作者
BAUSCHLICHER, CW
LANGHOFF, SR
PARTRIDGE, H
机构
关键词
D O I
10.1063/1.450535
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:901 / 909
页数:9
相关论文
共 69 条
[1]   STRUCTURE OF ALKALI HYDROXIDES .2. INFRARED SPECTRA OF MATRIX-ISOLATED CSOH AND CSOD [J].
ACQUISTA, N ;
ABRAMOWITZ, S ;
LIDE, DR .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (02) :780-+
[2]   STRUCTURE OF ALKALI HYDROXIDES .V. INFRARED SPECTRA OF MATRIX-ISOLATED RBOH, RBOD, NAOH, AND NAOD [J].
ACQUISTA, N ;
ABRAMOWI.S .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (07) :2911-&
[3]   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
[4]   ON HYBRIDIZATION AND BONDING IN THE ALKALINE-EARTHS - BE, MG, AND CA [J].
BAUSCHLICHER, CW ;
BAGUS, PS ;
COX, BN .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (08) :4032-4038
[5]   ABINITIO STUDY OF BECN, MGCN, CACN AND BACN [J].
BAUSCHLICHER, CW ;
LANGHOFF, SR ;
PARTRIDGE, H .
CHEMICAL PHYSICS LETTERS, 1985, 115 (02) :124-129
[6]   THE DISSOCIATION-ENERGY OF MGO [J].
BAUSCHLICHER, CW ;
LENGSFIELD, BH ;
LIU, B .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (08) :4084-4087
[7]   ON THE DISSOCIATION-ENERGY OF CAOH AND LIOH [J].
BAUSCHLICHER, CW ;
PARTRIDGE, H .
CHEMICAL PHYSICS LETTERS, 1984, 106 (1-2) :65-68
[8]   OSCILLATOR-STRENGTHS OF SOME BA LINES - A TREATMENT INCLUDING CORE-VALENCE CORRELATION AND RELATIVISTIC EFFECTS [J].
BAUSCHLICHER, CW ;
JAFFE, RL ;
LANGHOFF, SR ;
MASCARELLO, FG ;
PARTRIDGE, H .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1985, 18 (11) :2147-2160
[9]  
BAUSCHLICHER CW, UNPUB
[10]  
BENDER CF, 1971, J CHEM PHYS, V55, P7498