ON THE NATURE OF LIH2

被引:30
作者
HOBZA, P [1 ]
SCHLEYER, PV [1 ]
机构
[1] UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
关键词
D O I
10.1016/0009-2614(84)85671-7
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:630 / 634
页数:5
相关论文
共 17 条
[1]  
BINKLEY JS, GAUSSIAN 82 RELEASE
[2]   MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF MOLECULES .29. INTERACTION OF H-2 WITH SIMPLE LEWIS-ACIDS [J].
COLLINS, JB ;
SCHLEYER, PV ;
BINKLEY, JS ;
POPLE, JA ;
RADOM, L .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (12) :3436-3441
[3]   APPLICATIONS OF DIATOMICS-IN-MOLECULES THEORY .I. PREDICTION OF STABLE LIH2 AND LI2H MOLECULES [J].
COMPANION, AL .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (03) :1186-+
[4]   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
[5]   INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].
HARIHARA.PC ;
POPLE, JA .
THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222
[6]  
HOBZA P, UNPUB J COMP CHEM
[7]  
KOCHANSKI E, 1981, JERUSALEM S QUANTUM, V14, P15
[8]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS [J].
KRISHNAN, R ;
BINKLEY, JS ;
SEEGER, R ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) :650-654
[9]   Computed potential hypersurface (including electron correlation) of the system Li+/H-2 [J].
Kutzelnigg, W. ;
Staemmler, V. ;
Hoheisel, C. .
CHEMICAL PHYSICS, 1973, 1 (01) :27-44
[10]   INTERACTION OF EXCITED LITHIUM ATOM WITH MOLECULAR-HYDROGEN .1. PRELIMINARY POTENTIAL-ENERGY SURFACES IN AN OVC MCSCF APPROXIMATION [J].
MIZUTANI, K ;
KURIBARA, Y ;
HAYASHI, K ;
MATSUMOTO, S .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1979, 52 (08) :2184-2188