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Quantum-Chemical Calculations of Molecular Systems as the Basis of Nanotechnologies in Applied Quantum Chemistry: Volume 7 [Kietas viršelis]

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  • Formatas: Hardback, 521 pages, aukštis x plotis: 260x180 mm, weight: 1072 g
  • Išleidimo metai: 01-Mar-2012
  • Leidėjas: Nova Science Publishers Inc
  • ISBN-10: 1614708916
  • ISBN-13: 9781614708919
Kitos knygos pagal šią temą:
Quantum-Chemical Calculations of Molecular Systems as the Basis of Nanotechnologies in Applied Quantum Chemistry: Volume 7Didesnis paveikslėlis
  • Formatas: Hardback, 521 pages, aukštis x plotis: 260x180 mm, weight: 1072 g
  • Išleidimo metai: 01-Mar-2012
  • Leidėjas: Nova Science Publishers Inc
  • ISBN-10: 1614708916
  • ISBN-13: 9781614708919
Kitos knygos pagal šią temą:
Pastovi nuoroda: https://www.kriso.lt/db/9781614708919.html
Raktažodžiai:
Preface xiii
Part I Quantum-chemical Calculation of Chemical Compounds, Synthesized by Laureates of Nobel Prize
1(26)
Chapter 1 Research of Geometrical and Electronic Structure of the Molecule of Cyclohexane by Method MNDO
3(6)
V. A. Babkin
D. S. Andreev
Chapter 2 Research of Geometrical and Electronic Structure of the Molecule of Ammonia by Method MNDO
9(6)
V. A. Babkin
D. S. Andreev
Chapter 3 Research of Geometrical and Electronic Structure of the Molecule of Purine by Method MNDO
15(6)
V. A. Babkin
D. S. Andreev
Chapter 4 Research of Geometrical and Electronic Structure of the Molecule of Benzylpenicillin by Method MNDO
21(6)
V. A. Babkin
D. S. Andreev
Part II Quantum Chemical Calculation of Liquid Crystal
27(16)
Chapter 5 Research of Geometrical and Electronic Structure of Molecule of Cholesteric Liquid Crystal Amyl-PARA-(4-Cyanobenzylidenamino)-Cinnamat by Method MNDO
29(6)
V. A. Babkin
D. S. Andreev
Chapter 6 Research of Geometrical and Electronic Structure of Molecule of Cholesteric Liquid Crystal Amyl-PARA-(4-Cyanobenzylidenamino)-Cinnamat by Method Ab Initio
35(8)
V. A. Babkin
D. S. Andreev
Part III Quantum Chemical Calculation of Medical Products
43(12)
Chapter 7 Estimation of Acid Force of Components of Synthesis 1-[ 2-(O-Acetylmethyl)-3-O-Acetyl-2-Ethyl]- Methyldichlorinephosphite and G. E. Zaikov
45(10)
Part IV Quantum Chemical Calculation of Mineral Oils
55(16)
Chapter 8 About the Geometrical and Electronic Structure Molecule Gopane
57(8)
V. A. Babkin
R. G. Fedunov
A. A. Ostrouxov
Chapter 9 About the Geometrical and Electronic Structure Molecule Diagopane
65(6)
V. A. Babkin
R. G. Fedunov
A. A. Ostrouxov
Part v Quantum Chemical Calculations in Biochemistry
71(8)
Chapter 10 Research of Geometrical and Electronic Structure of O - allyl Ethers
73(6)
V. A. Babkin
A. V. Tsykanov
O. P. Buzinova
Part VI Quantum Chemical Calculation of Branchy Olefins
79(28)
Chapter 11 Research of Geometrical and Electronic Structure of Molecules of Monomers of Cationic Polymerization, Branched out in γ-, δ-, ε-Position in Relation to Double Bond by Method Ab Initio
81(8)
V. A. Babkin
D. S. Andreev
Chapter 12 Research of Geometrical and Electronic Structure of Molecules of Monomers of Cationic Polymerization, Branched out in γ-, δ-, ε-Position in Relation to Double Bond by Method MNDO
89(8)
V. A. Babkin
D. S. Andreev
Chapter 13 Quantum-Chemical Studying of the Mechanism of Protonation of Alicyclic Olefin Cationic Polymerization 3-Methylmethylenecyclohexane
97(4)
V. A. Babkin
V. Yu. Dmitriev
G. E. Zaikov
Chapter 14 Estimation of Acid Force of Isoolefins
101(6)
V. A. Babkin
D. A. Frolov
Yu. A. Sangalov
G. E. Zaikov
Part VII Quantum Chemical Calculation of Alicyclic olefins of Cation Polymerization, Diolefins and There Derivations
107(74)
Chapter 15 Research of Geometrical and Electronic Structure of Molecule Allylcyclohexane by Method Ab Initio
109(6)
V. A. Babkin
D. S. Andreev
Chapter 16 Research of Geometrical and Electronic Structure of Molecule Vinylcyclohexane by Method Ah Initio
115(6)
V. A. Babkin
D. S. Andreev
Chapter 17 Research of Geometrical and Electronic Structure of Molecule 4-Methylmethylenecyclohexane by Method Ab Initio
121(6)
V. A. Babkin
D. S. Andreev
Chapter 18 Research of Geometrical and Electronic Structure of Molecule Methylenecyclopentane by Method Ab Initio
127(6)
V. A. Babkin
D. S. Andreev
Chapter 19 Research of Geometrical and Electronic Structure of Molecule 1-Methylcyclopentene by Method Ab Initio
133(6)
V. A. Babkin
D. S. Andreev
Chapter 20 Research of Geometrical and Electronic Structure of Molecule 3-Methylcyclopentene by Method Ab Initio
139(6)
V. A. Babkin
D. S. Andreev
Chapter 21 Research of Geometrical and Electronic Structure of Molecule Cyclopentene by Method Ab Initio
145(6)
V. A. Babkin
D. S. Andreev
Chapter 22 Research of Geometrical and Electronic Structure of Molecule Methylenecyclobutane by Method Ab Initio
151(6)
V. A. Babkin
D. S. Andreev
Chapter 23 Research of Geometrical and Electronic Structure of Molecule 1, 2-Dicyclopropylethylene by Method Ab Initio
157(6)
V. A. Babkin
D. S. Andreev
Chapter 24 Research of Geometrical and Electronic Structure of Molecule Isopropenylcyclopropane by Method Ab Initio
163(6)
V. A. Babkin
D. S. Andreev
Chapter 25 Research of Geometrical and Electronic Structure of Molecule Vinylcyclopropane by Method Ab Initio
169(6)
V. A. Babkin
D. S. Andreev
Chapter 26 Research of Geometrical and Electronic Structure of Molecule Methylenecyclopropane by Method Ab Initio
175(6)
V. A. Babkin
D. S. Andreev
Part VIII Cyclic Conjugate Dienes
181(44)
Chapter 27 Research of Geometrical and Electronic Structure of Molecule 1-Methyl-1, 3-Cyclopentadiene by Method MNDO
183(6)
V. A. Babkin
N. A. Azaryan
Chapter 28 Research of Geometrical and Electronic Structure of Molecule 1,3-Cyclopentadiene by Method MNDO
189(6)
V. A. Babkin
N. A. Azaryan
Chapter 29 Research of Geometrical and Electronic Structure of Molecule 1-Methyl-3-Methylenecyclobutene by Method MNDO
195(6)
V. A. Babkin
N. A. Azaryan
Chapter 30 Research of Geometrical and Electronic Structure of Molecule 3-Methylenecyclobutene by Method MNDO
201(6)
V. A. Babkin
N. A. Azaryan
Chapter 31 Research of Geometrical and Electronic Structure of Molecule 1-Methyl-1,3-Cyclopenadiene by Method Ab Initio
207(6)
V. A. Babkin
D. S. Andreev
Chapter 32 Research of Geometrical and Electronic Structure of Molecule 1,3-Cyclopenadiene by Method Ab Initio
213(6)
V. A. Babkin
D. S. Andreev
Chapter 33 Research of Geometrical and Electronic Structure of Molecule 1-Methyl-3-Methylene-1,3-Cyclobutene by Method Ab Initio
219(6)
V. A. Babkin
D. S. Andreev
Part IX Compound With Small Cyclies
225(74)
Chapter 34 Research of Geometrical and Electronic Structure of Molecule 1-Methylbicyclo [ 6, 1, 0]Octane by Method MNDO
227(6)
V. A. Babkin
S. M. Shamin
Chapter 35 Research of Geometrical and Electronic Structure of Molecule 3-Methylbicyclo [ 4, 1, 0]Heptane by Method MNDO
233(6)
V. A. Babkin
S. M. Shamin
Chapter 36 Research of Geometrical and Electronic Structure of Molecule 2-Methylbicyclo[ 4,1,0]Heptane by Method MNDO
239(6)
V. A. Babkin
S. M. Shamin
Chapter 37 Research of Geometrical and Electronic Structure of Molecule 1-Methylbicyclo[ 4,1,0]Heptane by Method MNDO
245(6)
V. A. Babkin
S. M. Shamin
Chapter 38 Research of Geometrical and Electronic Structure of Molecule 2-Phenyl-1,1-Dichlorinecyclopropane by Method Ab Initio
251(6)
V. A. Babkin
D. S. Andreev
Chapter 39 Research of Geometrical and Electronic Structure of Molecule Isopropylcyclobutane by Method Ab Initio
257(6)
V. A. Babkin
D. S. Andreev
Chapter 40 Research of Geometrical and Electronic Structure of Molecule Ethylcyclobutane by Method Ab Initio
263(6)
V. A. Babkin
D. S. Andreev
Chapter 41 Research of Geometrical and Electronic Structure of Molecule Methylcyclobutane by Method Ab Initio
269(6)
V. A. Babkin
D. S. Andreev
Chapter 42 Research of Geometrical and Electronic Structure of Molecule Bicyclo[ 6,1,0]Nonene-4 by Method Ab Initio
275(6)
V. A. Babkin
D. S. Andreev
Chapter 43 Research of Geometrical and Electronic Structure of Molecule 1-Methyl-7.7-Dichlorobicyclo[ 4,1,0]Heptane by Method Ab Initio
281(6)
V. A. Babkin
D. S. Andreev
Chapter 44 Research of Geometrical and Electronic Structure of Molecule 1-Methyl-6,6-Dichlorobicyclo[ 3,1,0]Hexane by Method Ab Initio
287(6)
V. A. Babkin
D. S. Andreev
Chapter 45 Research of Geometrical and Electronic Structure of Molecule 9,9-Dichlorobicyclo[ 5,1,0]Nonane by Method Ab Initio
293(6)
V. A. Babkin
D. S. Andreev
Part X Styrene and its Derivations
299(98)
Chapter 46 Research of Geometrical and Electronic Structure of Molecule P-Fluorostyrene by Method MNDO
301(6)
V. A. Babkin
K. S. Medvedeva
Chapter 47 Research of Geometrical and Electronic Structure of Molecule 2,6-Dimethyl-4-Tert-Butylstyrene by Method MNDO
307(6)
V. A. Babkin
K. S. Medvedeva
Chapter 48 Research of Geometrical and Electronic Structure of Molecule Vinylmesitylene by Method MNDO
313(6)
V. A. Babkin
K. S. Medvedeva
Chapter 49 Research of Geometrical and Electronic Structure of Molecule 2-Isopropyl-5-Methylstyrene by Method MNDO
319(6)
V. A. Babkin
K. S. Medvedeva
Chapter 50 Research of Geometrical and Electronic Structure of Molecule P-Bromostyrene by Method MNDO
325(6)
V. A. Babkin
K. S. Medvedeva
Chapter 51 Research of Geometrical and Electronic Structure of Molecule Cis -- α, β-Dimethylstyrene by Method MNDO
331(6)
V. A. Babkin
D. S. Andreev
Chapter 52 Research of Geometrical and Electronic Structure of Molecule Trans-α, β-Dimethylstyrene by Method MNDO
337(6)
V. A. Babkin
D. S. Andreev
Chapter 53 Research of Geometrical and Electronic Structure of Molecule 2,5-Dimethoxystyrene by Method Ab Initio
343(6)
V. A. Babkin
D. S. Andreev
Chapter 54 Research of Geometrical and Electronic Structure of Molecule M-Methoxy styrene by Method Ab Initio
349(6)
V. A. Babkin
D. S. Andreev
Chapter 55 Research of Geometrical and Electronic Structure of Molecule O-Methoxystyrene by Method Ab Initio
355(6)
V. A. Babkin
D. S. Andreev
Chapter 56 Research of Geometrical and Electronic Structure of Molecule P-Methoxystyrene by Method Ab Initio
361(6)
V. A. Babkin
D. S. Andreev
Chapter 57 Quantum Chemical Calculation of Molecule M-Oxystyrene by Method Ab Initio
367(6)
V. A. Babkin
D. S. Andreev
Chapter 58 Research of Geometrical and Electronic Structure of Molecule O-Oxystyrene by Method Ab Initio
373(6)
V. A. Babkin
D. S. Andreev
Chapter 59 Research of Geometrical and Electronic Structure of Molecule P-Oxystyrene by Method Ab Initio
379(6)
V. A. Babkin
D. S. Andreev
Chapter 60 Research of Geometrical and Electronic Structure of Molecule P-Cyanostyrene by Method Ab Initio
385(6)
V. A. Babkin
D. S. Andreev
Chapter 61 Research of Geometrical and Electronic Structure of Molecule 2,5-Dichlorstyrene by Method Ab Initio
391(6)
V. A. Babkin
D. S. Andreev
Part XI Indene And Its Derivations
397(68)
Chapter 62 Research of Geometrical and Electronic Structure of Molecule 3,4,5,6,7-Pentamethylindene by Method MNDO
399(6)
V. A. Babkin
K. N. Sadukov
Chapter 63 Research of Geometrical and Electronic Structure of Molecule 4,5,6,7-Tetramethylindene by Method MNDO
405(6)
V. A. Babkin
K. N. Sadukov
Chapter 64 Research of Geometrical and Electronic Structure of Molecule 4,6,7-Trimethylindene by Method MNDO
411(6)
V. A. Babkin
K. N. Sadukov
Chapter 65 Research of Geometrical and Electronic Structure of Molecule 6,7-Dimethylindene by Method MNDO
417(6)
V. A. Babkin
K. N. Sadukov
Chapter 66 Research of Geometrical and Electronic Structure of Molecule 5,7-Dimethylindene by Method MNDO
423(6)
V. A. Babkin
K. N. Sadukov
Chapter 67 Research of Geometrical and Electronic Structure of Molecule 5,6-Dimethylindene by Method MNDO
429(6)
V. A. Babkin
K. N. Sadukov
Chapter 68 Research of Geometrical and Electronic Structure of Molecule 4,6-Dimethylindene by Method MNDO
435(6)
V. A. Babkin
K. N. Sadukov
Chapter 69 Research of Geometrical and Electronic Structure of Molecule 2-Methylindene by Method Ab Initio
441(6)
V. A. Babkin
D. S. Andreev
Chapter 70 Research of Geometrical and Electronic Structure of Molecule 1-Methylindene by Method Ab Initio
447(6)
V. A. Babkin
D. S. Andreev
Chapter 71 Research of Geometrical and Electronic Structure of Molecule Indene by Method Ab Initio
453(6)
V. A. Babkin
D. S. Andreev
Chapter 72 Research of Geometrical and Electronic Structure of Molecule 1-Indenylindene by Method Ab Initio
459(6)
V. A. Babkin
D. S. Andreev
Part XII Aromatic Olefins
465(38)
Chapter 73 Research of Geometrical and Electronic Structure of Molecule 9-Vinylanthracene by Method MNDO
467(6)
V. A. Babkin
I. A. Akimov
Chapter 74 Research of Geometrical and Electronic Structure of Molecule 5-Methylacenaphthylene by Method MNDO
473(6)
V. A. Babkin
I. A. Akimov
Chapter 75 Research of Geometrical and Electronic Structure of Molecule 3-Methylacenaphthylene by Method MNDO
479(6)
V. A. Babkin
I. A. Akimov
Chapter 76 Research of Geometrical and Electronic Structure of Molecule 1-Methylacenaphthylene by Method MNDO
485(6)
V. A. Babkin
I. A. Akimov
Chapter 77 Research of Geometrical and Electronic Structure of Molecule Acenaphthylene by Method MNDO
491(6)
V. A. Babkin
I. A. Akimov
Chapter 78 Research of Geometrical and Electronic Structure of Molecule 1-Vinylpyrene by Method MNDO
497(6)
V. A. Babkin
I. A. Akimov
Part XIII Nanotechnologes Of Applied Quantum Chemistry
503(12)
Chapter 79 Classic Nanotechnologes of Applied Quantum Chemistry
505(6)
V.A. Babkin
G.E. Zaikov
Chapter 80 Nanotechnologes of Applied Quantum Chemistry of Homogeneous and Heterogeneous Molecular Systems
511(2)
V.A. Babkin
S.P. Belousov
G.E. Zaikov
Chapter 81 The General Algorithm of Nanotechnology
513(2)
V.A. Babkn
S.P. Belousov
G.E. Zaikov
Conclusion 515(2)
About the Editors 517(2)
Index 519