CONFORMATION ANALYSIS OF DIPHOSPHINE

被引:17
作者
AHLRICHS, R [1 ]
HEINZMANN, R [1 ]
ZIRZ, C [1 ]
机构
[1] UNIV KARLSRUHE,INST PHYS CHEM,LEHRSTUHL THEORET CHEM,D-7500 KARLSRUHE,FED REP GER
来源
THEORETICA CHIMICA ACTA | 1976年 / 43卷 / 01期
关键词
D O I
10.1007/BF00548954
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:29 / 35
页数:7
相关论文
共 22 条
[11]   INTERNAL ROTATION BARRIERS FOR HYDRAZINE AND HYDROXYLAMINE FROM AB INITIO LCAU-MO-SCF WAVEFUNCTIONS [J].
FINK, WH ;
PAN, DC ;
ALLEN, LC .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (03) :895-&
[12]   A QUANTUM VARIATIONAL CALCULATION FOR HCHO [J].
FOSTER, JM ;
BOYS, SF .
REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :303-304
[13]   VIBRATIONAL SPECTRUM AND STRUCTURE OF SOLID DIPHOSPHINE [J].
FRANKISS, SG .
INORGANIC CHEMISTRY, 1968, 7 (09) :1931-&
[14]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&
[15]  
HUZINAGA S, 1971, APPROXIMATE ATOMIC F, P44106
[16]   AB-INITIO SCF-LCAO-MO STUDY OF PHOSPHORUS PYRAMIDAL INVERSION PROCESS IN PHOSPHINE [J].
LEHN, JM ;
MUNSCH, B .
MOLECULAR PHYSICS, 1972, 23 (01) :91-&
[17]   PNO-CI STUDIES OF ELECTRON CORRELATION EFFECTS .1. CONFIGURATION EXPANSION BY MEANS OF NONORTHOGONAL ORBITALS, AND APPLICATION TO GROUND-STATE AND IONIZED STATES OF METHANE [J].
MEYER, W .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) :1017-1035
[18]  
Meyer W., 1971, INT J QUANTUM CHEM, V5, P341, DOI [10.1002/qua.560050839, DOI 10.1002/QUA.560050839]
[19]   VIBRATIONAL-SPECTRA AND STRUCTURE OF BIPHOSPHINE AND BIPHOSPHINE-D4 [J].
ODOM, JD ;
WURREY, CJ ;
CARREIRA, LA ;
DURIG, JR .
INORGANIC CHEMISTRY, 1975, 14 (11) :2849-2853
[20]   MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .13. FOURIER COMPONENT ANALYSIS OF INTERNAL-ROTATION POTENTIAL FUNCTIONS IN SATURATED MOLECULES [J].
RADOM, L ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (07) :2371-&