CALCULATIONS OF ELECTRONIC-STRUCTURES OF CAGE MOLECULES USING FREE-ELECTRON ORBITALS AS A BASIS

被引:1
作者
CARTWRIGHT, HM
BOSSOMAIER, TRJ
GRINTER, R
机构
[1] UNIV VICTORIA,DEPT CHEM,VICTORIA V8W 2Y2,BRITISH COLUMBI,CANADA
[2] UNIV E ANGLIA,SCH CHEM SCI,NORWICH NR4 7TJ,NORFOLK,ENGLAND
来源
THEORETICA CHIMICA ACTA | 1977年 / 44卷 / 03期
关键词
D O I
10.1007/BF00551169
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:265 / 278
页数:14
相关论文
共 41 条
[1]   BAND ASSIGNMENT IN ULTRAVIOLET PHOTOELECTRON SPECTROSCOPY [J].
BALLARD, RE .
APPLIED SPECTROSCOPY REVIEWS, 1973, 7 (02) :183-213
[2]   STRUCTURES OF ELECTRON-RICH CAGE SPECIES TETRASULFUR TETRANITRIDE AND OCTASULFUR DICATION [J].
BANISTER, AJ .
NATURE-PHYSICAL SCIENCE, 1972, 239 (92) :69-&
[3]   CONJUGATED COMPOUNDS .2. SIMPLE POTENTIAL ENERGY FUNCTIONS, ABSORPTION SPECTRA, AND IONIZATION IN LINEAR POLYENES [J].
BAYLISS, NS .
AUSTRALIAN JOURNAL OF SCIENTIFIC RESEARCH SERIES A-PHYSICAL SCIENCES, 1950, 3 (01) :109-127
[4]   A METALLIC MODEL FOR THE SPECTRA OF CONJUGATED POLYENES [J].
BAYLISS, NS .
JOURNAL OF CHEMICAL PHYSICS, 1948, 16 (04) :287-292
[5]  
BAYLISS NS, 1949, J CHEM PHYS, V17, P1853
[6]  
Bishop D.M., 1967, ADV QUANTUM CHEM, VVolume 3, P25, DOI 10.1016/S0065-3276(08)60086-6
[7]   A FREE-ELECTRON STUDY OF PI-MOLECULAR COMPOUNDS [J].
BOEYENS, JCA .
JOURNAL OF PHYSICAL CHEMISTRY, 1967, 71 (09) :2969-&
[8]   ELECTRONIC STRUCTURE OF TETRANITROGEN TETRASULPHIDE N4S4 [J].
BRATERMAN, PS .
JOURNAL OF THE CHEMICAL SOCIETY, 1965, (APR) :2297-+
[9]   IONIZATION POTENTIALS OF TETRAPHOSPHORUS MOLECULE [J].
BRUNDLE, CR ;
BASCH, H ;
KUEBLER, NA ;
ROBIN, MB .
INORGANIC CHEMISTRY, 1972, 11 (01) :20-&
[10]  
CARWRIGHT HM, 1975, EURATOM EUROCOPI JUN