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

来源：

MOLECULAR PHYSICS | 1978年 / 35卷 / 01期

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

页码：111 / 127

页数：17

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

[49] APPLICATION OF POPLE-SANTRY-SEGAL CNDO METHOD TO CYCLOPROPYLCARBINYL AND CYCLOBUTYL CATION AND TO BICYCLOBUTANE [J].

WIBERG, KB .

TETRAHEDRON, 1968, 24 (03) :1083-+

[50] CRYSTAL STRUCTURE OF TETRATHIAZYIFLUORIDE, (NSF)4 [J].

WIEGERS, GA ;

VOS, A .

ACTA CRYSTALLOGRAPHICA, 1961, 14 (06) :562-&

← 1 2 3 4 5 6 →