CNDO/S PARAMETERS OF C, O, AND SI FOR SOLID-STATE CALCULATIONS

被引：6

作者：

DEAK, P

机构：

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1983年 / 23卷 / 04期

关键词：

D O I：

10.1002/qua.560230407

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：1165 / 1177

页数：13

共 67 条

[21] (E,2E) SPECTROSCOPY OF ETHANE [J].

DEY, S ;

DIXON, AJ ;

MCCARTHY, IE ;

WEIGOLD, E .

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1976, 9 (05) :397-412

[22] USE OF CNDO METHOD IN SPECTROSCOPY .6. FURTHER N-PI TRANSITIONS [J].

ELLIS, RL ;

JAFFE, HH ;

KUEHNLEN.G .

THEORETICA CHIMICA ACTA, 1972, 26 (02) :131-&

[23] PHOTOELECTRON-SPECTRA AND MOLECULAR-PROPERTIES .30. PI INTERACTIONS IN H3SI- SUBSTITUTED AND H3C-SUBSTITUTED ACETYLENES [J].

ENSSLIN, W ;

BOCK, H ;

BECKER, G .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (09) :2757-2762

[24]

EUCKEN A, 1951, LANDOLTBORNSTEIN ZAH, V1

[25] LARGE UNIT-CELL CALCULATIONS OF SOLIDS IN CNDO APPROXIMATION [J].

EVARESTOV, RA ;

LOVCHIKOV, VA .

PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1977, 79 (02) :743-751

[26]

FENSKE RF, 1976, PROGR INORGANIC CHEM, V21, P179

[27] EXCITED-STATES AND PHOTOCHEMISTRY OF SATURATED MOLECULES .9. VERTICAL EXCITED-STATES OF SILANE [J].

GORDON, MS .

JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (11) :4955-4961

[28] SECOND ROW MOLECULAR-ORBITAL CALCULATIONS - GEOMETRIES, INTERNAL-ROTATION BARRIERS, AND DIPOLE-MOMENTS OF METHYLSILANE, DISILANE, METHYL MERCAPTAN, AND METHYLPHOSPHINE [J].

GORDON, MS ;

NEUBAUER, L .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (18) :5690-5693

[29] 2ND-ROW MOLECULAR-ORBITAL CALCULATIONS .2. SEMIEMPIRICAL CALCULATIONS OF DIPOLE-MOMENTS [J].

GORDON, MS ;

RICHARDS, B ;

KORTH, M .

JOURNAL OF MOLECULAR STRUCTURE, 1975, 28 (02) :255-267

[30] ELECTRONIC-STRUCTURE OF SIO2 - REVIEW OF RECENT SPECTROSCOPIC AND THEORETICAL ADVANCES [J].

GRISCOM, DL .

JOURNAL OF NON-CRYSTALLINE SOLIDS, 1977, 24 (02) :155-234

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