COMPARISON OF SCF-X-ALPHA-SW AND CNDO-BW CALCULATIONS ON S4N4H4 AND F4S4N4

被引:15
作者
FOTI, AE [1 ]
SMITH, VH [1 ]
KISHNER, S [1 ]
GOPINATHAN, MS [1 ]
WHITEHEAD, MA [1 ]
机构
[1] MCGILL UNIV,DEPT CHEM,MONTREAL H3A 2K6,QUEBEC,CANADA
关键词
D O I
10.1080/00268977800100081
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:111 / 127
页数:17
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共 51 条
[41]   PERTURBATION TREATMENT OF HARTREE-FOCK/SLATER (XALPHA) EQUATIONS [J].
SINGH, SR ;
SMITH, VH .
PHYSICAL REVIEW A, 1971, 4 (05) :1774-&
[42]  
SLATER JC, 1973, ADV QUANTUM CHEM, V6, P1
[43]  
SLATER JC, 1973, INT J QUANTUM CHEM S, V7, P533
[44]  
SLATER JC, 1965, QUANTUM THEORY MOLEC, V2, P55
[45]   THEORETICAL DETERMINATION AND ANALYSIS OF ELECTRONIC CHARGE-DISTRIBUTIONS [J].
SMITH, VH .
PHYSICA SCRIPTA, 1977, 15 (02) :147-162
[46]   LOCAL ORBITAL AND BOND INDEX CHARACTERIZATION OF HYBRIDIZATION [J].
TRINDLE, C ;
SINANOGL.O .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (04) :853-&
[47]   ON ELECTRONIC STRUCTURE OF TETRANITROGEN TETRASULFIDE [J].
TURNER, AG ;
MORTIMER, FS .
INORGANIC CHEMISTRY, 1966, 5 (05) :906-&
[48]  
WEINBERGER P, 1975, INT REV SCI PHYSICAL, V1, P257
[50]   CRYSTAL STRUCTURE OF TETRATHIAZYIFLUORIDE, (NSF)4 [J].
WIEGERS, GA ;
VOS, A .
ACTA CRYSTALLOGRAPHICA, 1961, 14 (06) :562-&