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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: 9781614708919
ISBN-10: 1614708916
Pagini: 521
Ilustrații: illustrations
Dimensiuni: 258 x 180 x 34 mm
Greutate: 1.02 kg
Editura: Nova Science Publishers Inc

Cuprins

Geometrical & electronic structure of the molecule of cyclohexane by method MNDO; Geometrical & electronic structure of the molecule of ammonia by method MNDO; Geometrical & electronic structure of the molecule of purine by method MND; Geometrical & electronic structure of the molecule of benzylpenicillin by method MNDO; Geometrical & electronic structure of molecule of cholesteric liquid crystal amyl-para-(4- cyanobenzylidenamino)-cinnamat by method MNDO; Geometrical & electronic structure of molecule of cholesteric liquid crystal amyl-para-(4- cyanobenzylidenamino)-cinnamat by method ab initio; Estimation of acid force of components of synthesis 1-[2-(§á-acetylmethyl)-3-§á-acetyl-2- ethyl]- methyldichlorinephosphite 8; About the geometrical & electronic structure molecule gopane; Geometrical & electronic structure of §á¨C allyl ethers (V.§ .Babkin, § .V.Tsykanov, O.P.Buzinova); Quantum-chemical studying of the mechanism of protonation of alicyclic olefin cationic polymerization 3- methylmethylenecyclohexane; Estimation of acid force of isoolefins; Geometrical & electronic structure of molecule allylcyclohexane by method AB INITIO; Geometrical & electronic structure of molecule vinylcyclohexane by method AB INITIO; Geometrical & electronic structure of molecule 4-methylmethylenecyclohexane by method AB INITIO; Geometrical & electronic structure of molecule methylenecyclopentane by method AB INITIO; Geometrical & electronic structure of molecule 1-methylcyclopentene by method AB INITIO; Geometrical & electronic structure of molecule 3-methylcyclopentene by method AB INITIO; Geometrical & electronic structure of molecule cyclopentene by method AB INITIO; Geometrical & electronic structure of molecule methylenecyclobutane by method AB INITIO; Geometrical & electronic structure of molecule 1,2-dicyclopropylethylene by method AB INITIO; Geometrical & electronic structure of molecule isopropenylcyclopropane be method AB INITIO; Geometrical & electronic structure of molecule vinylcyclopropane by method AB INITIO; Geometrical & electronic structure of molecule methylenecyclopropane by method AB INITIO; Geometrical & electronic structure of molecule 1-methyl-1,3-cyclopentadiene by method MNDO; Geometrical & electronic structure of molecule 1,3-cyclopentadiene by method MNDO; Geometrical & electronic structure of molecule 1-methyl-3-methylenecyclobutene by method MNDO; Geometrical & electronic structure of molecule 3-methylenecyclobutene by method MNDO; Geometrical & electronic structure of molecule 1-methyl-1,3-cyclopenadiene by method AB INITIO; Geometrical & electronic structure of molecule 1,3-cyclopenadiene by method AB INITIO; Geometrical & electronic structure of molecule 1-methyl-3-methylene-1,3-cyclobutene by method AB INITIO; Geometrical & electronic structure of molecule 1-methylbicyclo [6, 1, 0]octane by method MNDO; Geometrical & electronic structure of molecule 3-methylbicyclo[4, 1, 0]heptane by method MNDO; Geometrical & electronic structure of molecule 2-methylbicyclo[4,1,0]heptane by method MNDO; Geometrical & electronic structure of molecule 1-methylbicyclo[4,1,0]heptane by method MNDO; Geometrical & electronic structure of molecule 2-phenyl-1,1-dichlorinecyclopropane by method AB INITIO; Geometrical & electronic structure of molecule isopropylcyclobutane by method AB INITIO; Geometrical & electronic structure of molecule ethylcyclobutane by method AB INITIO; Geometrical & electronic structure of molecule methylcyclobutane by method AB INITIO; Geometrical & electronic structure of molecule bicyclo[6,1,0]nonene-4 by method AB INITIO; Geometrical & electronic structure of molecule 1-methyl-7.7-dichlorobicyclo[4,1,0]heptane by method AB INITIO; Geometrical & electronic structure of molecule 1-methyl-6,6-dichlorobicyclo[3,1,0]hexane by method AB INITIO; Geometrical & electronic structure of molecule 9,9-dichlorobicyclo[5,1,0]nonane by method AB INITIO; Geometrical & electronic structure of molecule p-fluorostyrene by method MNDO; Geometrical & electronic structure of molecule 2,6-dimethyl-4-tert-butylstyrene by method MNDO; Geometrical & electronic structure of molecule vinylmesitylene by method MNDO; Geometrical & electronic structure of molecule 2-isopropyl-5-methylstyrene by method MNDO; Geometrical & electronic structure of molecule p-bromostyrene by method MNDO; Geometrical & electronic structure of molecule cis-¦Á,¦Â-dimethylstyrene by method MNDO; Geometrical & electronic structure of molecule trans-¦Á,¦Â-dimethylstyrene by method MNDO; Geometrical & electronic structure of molecule 2,5-dimethoxystyrene by method AB INITIO; Geometrical & electronic structure of molecule §þ-methoxystyrene by method AB INITIO; Geometrical & electronic structure of molecule §á-methoxystyrene by method AB INITIO; Geometrical & electronic structure of molecule p-methoxystyrene by method AB INITIO; Geometrical & electronic structure of molecule §þ-oxystyrene by method AB INITIO; Geometrical & electronic structure of molecule o-oxystyrene by method AB INITIO; Geometrical & electronic structure of molecule p-cyanostyrene by method AB INITIO; Geometrical & electronic structure of molecule 2,5-dichlorstyrene by method AB INITIO; Geometrical & electronic structure of molecule 3,4,5,6,7-pentamethylindene by method MNDO; Geometrical & electronic structure of molecule 4,5,6,7-tetramethylindene by method MNDO; Geometrical & electronic structure of molecule 4,6,7-trimethylindene by method MNDO; Geometrical & electronic structure of molecule 6,7-dimethylindene by method MNDO; Geometrical & electronic structure of molecule 5,7-dimethylindene by method MNDO; Geometrical & electronic structure of molecule 5,6-dimethylindene by method MNDO; Geometrical & electronic structure of molecule 4,6-dimethylindene by method§á§þ MNDO; Geometrical & electronic structure of molecule 2-methylindene by method AB INITIO; Geometrical & electronic structure of molecule 1-methylindene by method AB INITIO; Geometrical & electronic structure of molecule indene by method AB INITIO; Geometrical & electronic structure of molecule 1-indenylindene by method AB INITIO; Geometrical & electronic structure of molecule 9-vinylanthracene by method MNDO; Geometrical & electronic structure of molecule 5-methylacenaphthylene by method MNDO; Geometrical & electronic structure of molecule 3-methylacenaphthylene by method MNDO; Geometrical & electronic structure of molecule 1-methylacenaphthylene by method MNDO; Geometrical & electronic structure of molecule acenaphthylene by method MNDO; Geometrical & electronic structure of molecule 1-vinylpyrene by method MNDO; Nanotechnologes of applied quantum chemistry of homogeneous & heterogeneous molecular systems; The general algorithm of nanotechnology of quantum chemistry homogeneous & heterogeneous molecular systems; Conclusion; Index.