THEORETICAL-STUDY ON THE STRUCTURE AND STABILITY OF (LIH)6 BY THE ENERGY GRADIENT-METHOD

被引:7
作者
KATO, H [1 ]
HIRAO, K [1 ]
AKAGI, K [1 ]
机构
[1] KYOTO UNIV,FAC ENGN,DEPT HYDROCARBON CHEM,KYOTO 606,JAPAN
关键词
D O I
10.1016/0009-2614(81)85211-6
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:580 / 584
页数:5
相关论文
共 14 条
[1]   INFLUENCE OF ELECTRON CORRELATION ON REACTION ENERGIES - DIMERIZATION ENERGIES OF BH3 AND LIH [J].
AHLRICHS, R .
THEORETICA CHIMICA ACTA, 1974, 35 (01) :59-68
[2]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .15. EXTENDED GAUSSIAN-TYPE BASIS SETS FOR LITHIUM, BERYLLIUM, AND BORON [J].
DILL, JD ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (07) :2921-2923
[3]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[4]   AB-INITIO GAUSSIAN ORBITAL CALCULATION OF (100) SURFACE OF CRYSTALLINE LITHIUM HYDRIDE [J].
ERICKSON, WD ;
LINNETT, JW .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1972, 331 (1586) :347-359
[5]   GAUSSIAN ORBITAL CALCULATIONS OF SOLIDS - CRYSTALLINE LITHIUM HYDRIDE [J].
ERICKSON, WD ;
LINNETT, JW .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1972, 68 (04) :693-&
[6]  
HERZBERG G, 1950, MOL SPECTRA MOL STRU, V1, P546
[7]  
KATO H, UNPUBLISHED
[8]   A STUDY OF LITHIUM CLUSTERS BY MEANS OF A QUADRUPOLE MASS ANALYZER [J].
KIMOTO, K ;
NISHIDA, I ;
TAKAHASHI, H ;
KATO, H .
JAPANESE JOURNAL OF APPLIED PHYSICS, 1980, 19 (10) :1821-1827
[9]   STUDY OF LITHIUM CLUSTERS BY MEANS OF A MASS ANALYZER [J].
KIMOTO, K ;
NISHIDA, I .
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1977, 42 (06) :2071-2072
[10]   THEORETICAL PREDICTION OF EXISTENCE AND PROPERTIES OF LITHIUM HYDRIDE DIMER [J].
KOLLMAN, P ;
ROTHENBE.S ;
BENDER, CF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (23) :8016-&