LUC-LCAO-CNDO CALCULATIONS ON COVALENT SEMICONDUCTORS.

被引：0

作者：

Szymanski, J.E. ^{[1
]}

Smith, P.V. ^{[1
]}

Matthew, J.A.D. ^{[1
]}

机构：

[1] Univ of York, Dep of Physics, York,, Engl, Univ of York, Dep of Physics, York, Engl

来源：

| 1600年 / 51期

关键词：

D O I：

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摘要：

SEMICONDUCTOR MATERIALS

引用

共 26 条

[21] LCAO-MO INVESTIGATIONS ON LIGNIN MODEL COMPOUNDS .5. CNDO-CI CALCULATIONS ON ELECTRONIC-SPECTRA OF QUINOIDE AND QUINONE METHIDE STRUCTURES
REMKO, M
POLCIN, J
MONATSHEFTE FUR CHEMIE, 1977, 108 (06): : 1313 - 1324
[22] LCAO MO INVESTIGATIONS ON LIGNIN MODEL COMPOUNDS .7. CNDO-2 CALCULATIONS OF INTER-MOLECULAR HYDROGEN-BONDS FORMED BY GUAIACOL WITH SOME STRONG PROTON ACCEPTORS
REMKO, M
POLCIN, J
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-FRANKFURT, 1977, 106 (3-6): : 249 - 257
[23] ALL VALENCE-ELECTRONS LCAO-MO-SCF STUDIES OF HYDROGEN-BONDING - CNDO/2 AND INDO CALCULATIONS OF INTRAMOLECULAR HYDROGEN-BONDING IN 5-SUBSTITUTED FURFURYL ALCOHOLS
HASANEIN, AA
KOVAC, S
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1974, 39 (12) : 3613 - 3619
[24] LCAO-MO INVESTIGATIONS OF LIGNIN MODEL COMPOUNDS .2. CNDO-2 CALCULATIONS OF INTRAMOLECULAR HYDROGEN-BOND O-H O=C IN MODELS OF 2-HYDROXYPHENYLCARBONYL TYPE
REMKO, M
POLCIN, J
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-LEIPZIG, 1977, 258 (02): : 219 - 224
[25] QUANTUM CHEMICAL CALCULATIONS FOR THE DETERMINATION OF THE MOLECULAR-STRUCTURE OF CONJUGATED COMPOUNDS .18. CRITICAL-EXAMINATION OF APPROXIMATE LCAO MO METHODS .1. REASONS FOR THE FAILURE OF THE CNDO AND INDO METHODS IN THEORETICAL CONFORMATIONAL-ANALYSIS OF CONJUGATED COMPOUNDS
BIRNER, P
HOFMANN, HJ
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1982, 21 (05) : 833 - 843
[26] STUDY OF CHLOROBERYLLATE ANIONS IN COMPOUNDS OF TYPE M-1(2)BECL4 AND M-1BE2CL5 (M1=TL+,NO+) BY INFRARED AND RAMAN SPECTROSCOPY AND BY LCAO-MO-CNDO-2 CALCULATIONS
MACCORDICK, J
KAUFMANN, G
ANNALES DE CHIMIE FRANCE, 1973, 8 (03): : 181 - 186

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