A THEORETICAL-STUDY OF THE DISSOCIATION-ENERGY OF BH USING QUADRATIC CONFIGURATION-INTERACTION - COMMENT

被引:15
作者
MARTIN, JML [1 ]
FRANCOIS, JP [1 ]
GIJBELS, R [1 ]
机构
[1] UNIV INSTELLING ANTWERP, INST MAT SCI, DEPT CHEM, B-2610 WILRIJK, BELGIUM
关键词
D O I
10.1063/1.456778
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:4425 / 4426
页数:2
相关论文
共 19 条
[1]   SPECTROSCOPIC PROPERTIES OF BH, BF, AND HBF+ CALCULATED BY SCEP CEPA [J].
BOTSCHWINA, P .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1986, 118 (01) :76-87
[2]   CORRELATION-CONSISTENT CONFIGURATION-INTERACTION - ACCURATE BOND-DISSOCIATION ENERGIES FROM SIMPLE WAVE-FUNCTIONS [J].
CARTER, EA ;
GODDARD, WA .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (05) :3132-3140
[3]   A THEORETICAL-STUDY OF THE ENERGIES OF BHN COMPOUNDS [J].
CURTISS, LA ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (01) :614-615
[4]   A THEORETICAL-STUDY OF THE DISSOCIATION-ENERGY OF BH USING QUADRATIC CONFIGURATION-INTERACTION [J].
CURTISS, LA ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (04) :2522-2523
[5]   THEORETICAL-STUDY OF STRUCTURES AND ENERGIES OF ACETYLENE, ETHYLENE, AND VINYL RADICAL AND CATION [J].
CURTISS, LA ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (12) :7405-7409
[6]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .25. SUPPLEMENTARY FUNCTIONS FOR GAUSSIAN-BASIS SETS [J].
FRISCH, MJ ;
POPLE, JA ;
BINKLEY, JS .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (07) :3265-3269
[7]  
Huber K. P., 1979, MOL SPECTRA MOL STRU
[9]   ON SPECTRUM OF BH IN NEAR ULTRAVIOLET [J].
JOHNS, JWC ;
GRIMM, FA ;
PORTER, RF .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1967, 22 (04) :435-&
[10]   COMBINED BOND-POLARIZATION BASIS-SETS FOR ACCURATE DETERMINATION OF DISSOCIATION-ENERGIES .4. ON THE VALIDITY OF POPLES INFINITE-ORDER MOLLER-PLESSET EXTRAPOLATION AND AN ALTERNATIVE FORMULA WITHIN MBP/CC THEORIES [J].
MARTIN, JML ;
FRANCOIS, JP ;
GIJBELS, R .
CHEMICAL PHYSICS LETTERS, 1989, 157 (03) :217-223