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Quantum-Chemical Calculations of Molecular Systems as the Basis of Nanotechnologies in Applied Quantum Chemistry

Editat de G. E. Zaikov, V. A. Babkin
en Limba Engleză Hardback – 29 feb 2012
This book is one of many volumes which presents current research in the study of quantum-chemical calculations of various molecular systems. The research results presented suggest that the development of nanotechnologies will offer new and more effective advancements for the improvement of penicillins, vitamins and catalysts. The results of quantum-chemical calculations of various molecular systems presented here are the first step toward the development of new nanotechnologies.
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Specificații

ISBN-13: 9781614708858
ISBN-10: 1614708851
Ilustrații: illustrations
Dimensiuni: 259 x 183 x 30 mm
Greutate: 1 kg
Editura: Nova Science Publishers Inc

Cuprins

Research of geometrical & electronic structure of the molecule of papaverine by method AB INITIO; Research of geometrical & electronic structure of the molecule of lysergic acid by method MNDO; Research of geometrical & electronic structure of the molecule of ¿-glucose by method MNDO; Research of geometrical & electronic structure of molecule of smectic liquid crystal terephthalbis(para-butylaniline) by method MNDO; Research of geometrical & electronic structure of molecule of smectic liquid crystal terephthalbis(para-butylaniline) by method AB INITIO; Estimation of acid force of components of synthesis 5- acetyloxymethyl-2-chlorine-5- ethyl-1,2,3- dioxaphosphorynane; Estimation of acid force of 6-methyperhydrotetralene; Estimation of acid force of 7-methyperhydrotetralene; Research of geometrical & electronic structure of molecules of monomers of cationic polymerization branched out in À-position in relation to double bond by method AB INITIO; Research of geometrical & electronic structure of molecules of monomers of cationic polymerization branched out in À-position in relation to double bond by method MNDO; Research of geometrical & electronic structure of molecule cyclohexene by method MDNO; Research of geometrical & electronic structure of molecule 3-methylcyclohexene by method MNDO; Research of geometrical & electronic structure of molecule methylenecyclohexane by method MNDO; Research of geometrical & electronic structure of molecule allylcyclopentane by method MNDO; Research of geometrical & electronic structure of molecule 4-methylmethylenecyclohexane by method MNDO; Research of geometrical & electronic structure of molecule 3-methylmethylenecyclohexane by method MNDO; Research of geometrical & electronic structure of molecule 3-vinylcyclopentene by method MNDO; Research of geometrical & electronic structure of molecule 3-allylcyclopentene by method MNDO; Research of geometrical & electronic structure of molecule 2-methylmethylenecyclohexane by method MNDO; Research geometrical & electronic structure of molecule 1-methylcyclohexene by method MNDO; Research of geometrical & electronic structure of molecule 2,3-dimethyl-1,3-cyclopentadiene by method MNDO; Research of geometrical & electronic structure of molecule 1,3-dimethyl-1,3-cyclopentadiene by method MNDO; Research of geometrical & electronic structure of molecule 2-methyl-1,3-cyclopentadiene by method MNDO; Research of geometrical & electronic structure of molecule 2,3-dimethyl-1,3-cyclopenadiene by method AB INITIO; Research of geometrical & electronic structure of molecule 1,3-dimethyl-1,3-cyclopenadiene by method AB INITIO; Research of geometrical & electronic structure of molecule 2-methyl-1,3-cyclopenadiene by method AB INITIO; Research of geometrical & electronic structure of molecule 2,4-spiroheptane by method MNDO; Quantum chemical calculation of molecule spiropentane by method MNDO; Research of geometrical & electronic structure of molecule 1-methylbicyclo[6, 1, 0] nonane by method MNDO; Research of geometrical & electronic structure of molecule 2,6-spirononane by method AB INITIO; Research of geometrical & electronic structure of molecule 2,5-spirooctane by method AB INITIO; Research of geometrical & electronic structure of molecule 1-methylbicyclo[6,1,0]nonane by method AB INITIO; Research of geometrical & electronic structure of molecule 1-methylbicyclo[6,1,0]octane by method AB INITIO; Research of geometrical & electronic structure of molecule 3-methylbicyclo[4,1,0]heptane by method AB INITIO; Research of geometrical & electronic structure of molecule 2-methylbicyclo[4,1,0]heptane by method AB INITIO; Research of geometrical & electronic structure of molecule 8,8-dichlorinebicyclo[5,1,0]octane by method AB INITIO; Research of geometrical & electronic structure of molecule para-methylstyrene by method MNDO; Research of geometrical & electronic structure of molecule styrene by method MNDO; Research of geometrical & electronic structure of molecule 2,5-dichlorostyrene by method MNDO; Research of geometrical & electronic structure of molecule 3,4-dichlorostyrene by method MNDO; Research of geometrical & electronic structure of molecule meta -chlorostyrene by method MNDO; Research of geometrical & electronic structure of molecule rto-chlorostyrene by method MNDO; Research of geometrical & electronic structure of molecule para-chlorostyrene by method MNDO; Research of geometrical & electronic structure of molecule 2-isopropyl-5-methylstyrene by method AB INITIO; Research of geometrical & electronic structure of molecule 5-isopropyl-2-methylstyrene by method AB INITIO; Research of geometrical & electronic structure of molecule 2,4-dimethylstyrene by method AB INITIO; Research of geometrical & electronic structure of molecule -isopropylstyrene by method AB INITIO; Research of geometrical & electronic structure of molecule -methylstyrene by method AB INITIO; Research of geometrical & electronic structure of molecule p-tret-butylstyrene by method AB INITIO; Research of geometrical & electronic structure of molecule 2-methyl-4-methoxy-5-isopropylstyrene by method AB INITIO; Research of geometrical & electronic structure of Mo lecule .