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Quantum-Chemical Calculations of Molecular Systems as the Basis of Nanotechnologies in Applied Quantum Chemistry: Volume 5 [Hardback]

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  • Formāts: Hardback, 460 pages, height x width: 260x180 mm, weight: 1042 g
  • Izdošanas datums: 01-Mar-2012
  • Izdevniecība: Nova Science Publishers Inc
  • ISBN-10: 1614708827
  • ISBN-13: 9781614708827
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Quantum-Chemical Calculations of Molecular Systems as the Basis of Nanotechnologies in Applied Quantum Chemistry: Volume 5Palielināt
  • Formāts: Hardback, 460 pages, height x width: 260x180 mm, weight: 1042 g
  • Izdošanas datums: 01-Mar-2012
  • Izdevniecība: Nova Science Publishers Inc
  • ISBN-10: 1614708827
  • ISBN-13: 9781614708827
Citas grāmatas par šo tēmu:
Permanent link: https://www.kriso.lv/db/9781614708827.html
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Preface xiii
Part I QUANTUM-CHEMICAL CALCULATION OF CHEMICAL COMPOUNDS, SYNTHESIZED BY LAUREATES OF NOBEL PRIZE
1(28)
Chapter 1 Geometrical and Electronic Structure of Terpenes
3(14)
V. A. Babkin
A. B. Tsykanov
V. Yu. Dmitriev
E. S. Titova
G. E. Zaikov
Chapter 2 Geometrical and Electronic Structure of the Molecule of Insecticide DDT (Dichlorodiphenyltrichloroethane) or 2, 2-Bis-(4-Chlorophenyl)1,1,1-Trichloroethane)
17(6)
V. A. Babkin
V. Yu. Dmitriev
G. E. Zaikov
Chapter 3 Geometrical and Electronic Structure of the Molecule of Formaldehyde
23(6)
V. A. Babkin
D. S. Andreev
V. D. Shesterenkin
E. S. Titova
Part II QUANTUM-CHEMICAL CALCULATION OF LIQUID CRYSTAL
29(14)
Chapter 4 Research of Geometrical and Electronic Structure of Molecule Nematic N-(Para-methoxybenzylidene)-para-butylaniline by Method MNDO
31(6)
V. A. Babkin
D. S. Andreev
Chapter 5 Research of Geometrical and Electronic Structure of Molecule of Smectic Liquid Crystal Terephthalbis(Para-Butylaniline) by Method MNDO
37(6)
V. A. Babkin
D. S. Andreev
Part III QUANTUM-CHEMICAL CALCULATION OF CELLULOSE
43(14)
Chapter 6 Research of Geometrical and Electronic Structure of Molecules of Mono-, Di-, Trinitrocellulose by Method MNDO
45(12)
V. A. Babkin
A. B. Tsykanov
E. S. Titova
Part IV QUANTUM-CHEMICAL CALCULATION OF JET ENGINE FUELS
57(12)
Chapter 7 Research of Geometrical and Electronic Structure of Different Fuels by Method Ab Initio
59(10)
V. A. Babkin
V. Yu. Dmitriev
E. S. Titova
G. E. Zaikov
Part V QUANTUM-CHEMICAL CALCULATIONS IN BIOCHEMISTRY
69(12)
Chapter 8 Research of Geometrical and Electronic Structure of Heterocyclic Nitrogen Bases: «Alphabet» of Genetic Code by Method Ab Initio
71(10)
V. A. Babkin
V. Yu. Dmitriev
E. S. Titova
V. S. Belousova
G. E. Zaikov
Part VI QUANTUM-CHEMICAL CALCULATION OF BRANCHY OLEFINS
81(22)
Chapter 9 Research of Geometrical and Electronic Structure of Molecules of Monomer of Cationic Polymerization, Branched out in α-position in Relation to Double Bond by Method MNDO
83(10)
V. A. Babkin
V. V. Galenkin
E. S. Titova
Chapter 10 Research of Geometrical and Electronic Structure of Molecules of Monomer of Cationic Polymerization Branched out in α-Position in Relation to Double Bond by Method Ab Initio
93(10)
V. A. Babkin
V. V. Galenkin
E. S. Titova
Part VII QUANTUM-CHEMICAL CALCULATION OF ALICYCLIC OLEFINS OF CATIONIC POLYMERIZATION, DIOLEFINS AND THEM DERIVATIONS
103(62)
Chapter 11 Research of Geometrical and Electronic Structure of Molecule Vinylcyclopentane by Method MNDO
105(6)
V. A. Babkin
A. A. Pristanskov
Chapter 12 Research of Geometrical and Electronic Structure of Molecule Methylenecyclopentane by Method MNDO
111(6)
V. A. Babkin
A. A. Pristanskov
Chapter 13 Research of Geometrical and Electronic Structure of Molecule 1- Methylcyclopentene by Method MNDO
117(6)
V. A. Babkin
A. A. Pristanskov
Chapter 14 Research of Geometrical and Electronic Structure Molecule 3- Methylcyclopentene by Method MNDO
123(6)
V. A. Babkin
A. A. Pristanskov
Chapter 15 Research of Geometrical and Electronic Structure of Molecule Cyclopentene Method MNDO
129(6)
V. A. Babkin
A. A. Pristanskov
Chapter 16 Research of Geometrical and Electronic Structure of Molecule Methylenecyclobutane by Method MNDO
135(6)
V. A. Babkin
A. A. Pristanskov
Chapter 17 Research of Geometrical and Electronic Structure of Molecule 1,1- Dicyclopropylethylene by Method MNDO
141(6)
V. A. Babkin
A. A. Pristanskov
Chapter 18 Research of Geometrical and Electronic Structure Molecule Isopropylcyclopropane by Method MNDO
147(6)
V. A. Babkin
A. A. Pristanskov
Chapter 19 Research of Geometrical and Electronic Structure Molecule Vinylcyclopropane by Method MNDO
153(6)
V. A. Babkin
A. A. Pristanskov
Chapter 20 Research of Geometrical and Electronic Structure Molecule Methylenecyclopropane by Method MNDO
159(6)
V. A. Babkin
A. A. Pristanskov
Part VIII CYCLIC CONJUGATE DIENES
165(38)
Chapter 21 Research of Geometrical and Electronic Structure of Molecule 5- methylallyl-1,3-cyclopentadiene by Method MNDO
167(6)
V. A. Babkin
N. A. Azaryan
Chapter 22 Research of Geometrical and Electronic Structure of Molecule 5- Allyl-1,3-Cyclopentadiene by Method MNDO
173(6)
V. A. Babkin
N. A. Azaryan
Chapter 23 Research of Geometrical and Electronic Structure of Molecule 1,2-Dimethyl-1,3-Cyclopentadiene by Method MNDO
179(6)
V. A. Babkin
N. A. Azaryan
Chapter 24 Research of Geometrical and Electronic Structure of Molecule 6-Methyl-6-Ethylfulvene by Method Ab Initio
185(6)
V. A. Babkin
D. S. Andreev
Chapter 25 Research of Geometrical and Electronic Structure of Molecule 6,6-Dimethylfulvene by Method Ab Initio
191(6)
V. A. Babkin
D. S. Andreev
Chapter 26 Research of Geometrical and Electronic Structure of Molecule 1,2-Dimethyl-1,3-Cyclopenadiene by Method Ab Initio
197(6)
V. A. Babkin
D. S. Andreev
Part IX COMPAUNDS WITH SMALL CYCLIES
203(62)
Chapter 27 Research of Geometrical and Electronic Structure of Molecule 2,7-Spirodecane by Method MNDO
205(6)
V. A. Babkin
S. M. Shamin
Chapter 28 Research of Geometrical and Electronic Structure of Molecule 2,6-Spironane by Method MNDO
211(6)
V. A. Babkin
S. M. Shamin
Chapter 29 Research of Geometrical and Electronic Structure of Molecule 2,5-Spirooctane by Method MNDO
217(6)
V. A. Babkin
S. M. Shamin
Chapter 30 Research of Geometrical and Electronic Structure of Molecule 7,7-Dichlorinebicyclo[ 4,1,0]Heptane by Method Ab Initio
223(6)
V. A. Babkin
D. S. Andreev
Chapter 31 Research of Geometrical and Electronic Structure of Molecule 1-Methyl-1-Vinyl-2,2-Dichlorinecyclopropane by Method Ab Initio
229(6)
V. A. Babkin
D. S. Andreev
Chapter 32 Research of Geometrical and Electronic Structure of Molecule 2-Methyl-1,1-Dichlorine-2-Para-Chlorophenylcyclopropane by Method Ab Initio
235(6)
V. A. Babkin
D. S. Andreev
Chapter 33 Research of Geometrical and Electronic Structure of Molecule 2-Methyl-2-Phenyl-1,1-Dichlorinecyclopropane by Method Ab Initio
241(6)
V. A. Babkin
D. S. Andreev
Chapter 34 Research of Geometrical and Electronic Structure of Molecule 2,2,3-Trimethyl-1,1-Dichlorinecyclopropane by Method Ab Initio
247(6)
V. A. Babkin
D. S. Andreev
Chapter 35 Research of Geometrical and Electronic Structure of Molecule 2,2-Dimethyl-1,1-Dichlorinecyclopropane by Method Ab Initio
253(6)
V. A. Babkin
D. S. Andreev
Chapter 36 Research of Geometrical and Electronic Structure of Molecule 2,7-Spirodecane by Method Ab Initio
259(6)
V. A. Babkin
D. S. Andreev
Part X STYRENE AND ITS DERIVATIONS
265(92)
Chapter 37 Research of Geometrical and Electronic Structure of Molecule 2-Methyl-5-Isopropylstyrene by Method MNDO
267(6)
V. A. Babkin
E. A. Kologrivko
Chapter 38 Research of Geometrical and Electronic Structure of Molecule 2,4-Dimethylstyrene by Method MNDO
273(6)
V. A. Babkin
E. A. Kologrivko
Chapter 39 Research of Geometrical and Electronic Structure of Molecule O-isopropylstyrene by Method MNDO
279(6)
V. A. Babkin
E. A. Kologrivko
Chapter 40 Research of Geometrical and Electronic Structure Molecule O-methylstyrene by Method MNDO
285(6)
V. A. Babkin
E. A. Kologrivko
Chapter 41 Research of Geometrical and Electronic Structure of Molecule Para-Tert-Butylstyrene by MethodM MNDO
291(6)
V. A. Babkin
E. A. Kologrivko
Chapter 42 Research of Geometrical and Electronic Structure of Molecule Para-Isopropylstyrene by Method MNDO
297(6)
V. A. Babkin
E. A. Kologrivko
Chapter 43 Research of Geometrical and Electronic Structure of Molecule Para-Ethylstyrene by Method MNDO
303(6)
V. A. Babkin
E. A. Kologrivko
Chapter 44 Research of Geometrical and Electronic Structure of Molecule P-Isopropylstyrene by Method Ab Initio
309(6)
V. A. Babkin
D. S. Andreev
Chapter 45 Research of Geometrical and Electronic Structure of Molecule Lstyrene by Method Ab Initio
315(6)
V. A. Babkin
D. S. Andreev
Chapter 46 Research of Geometrical and Electronic Structure of Molecule 3,4-Dichlorstyrene by Method Ab Initio
321(6)
V. A. Babkin
D. S. Andreev
Chapter 47 Research of Geometrical and Electronic Structure of Molecule M-Chlorstyrene by Method Ab Initio
327(6)
V. A. Babkin
D. S. Andreev
Chapter 48 Research of Geometrical and Electronic Structure of Molecule O-Chlorstyrene by Method Ab Initio
333(6)
V. A. Babkin
D. S. Andreev
Chapter 49 Research of Geometrical and Electronic Structure of Molecule P-Fluorostyrene by Method Ab Initio
339(6)
V. A. Babkin
D. S. Andreev
Chapter 50 Research of Geometrical and Electronic Structure of Molecule 2,6-Dimethyl-4-Tret-Butylstyrene by Method Ab Initio
345(6)
V. A. Babkin
D. S. Andreev
Chapter 51 Research of Geometrical and Electronic Structure of Molecule Vinylmesitylene by Method Ab Initio
351(6)
V. A. Babkin
D. S. Andreev
Part XI INDENE AND ITS DERIVATIONS
357(62)
Chapter 52 Research of Geometrical and Electronic Structure of Molecule 2,3-Dimethylindene by Method MNDO
359(6)
V. A. Babkin
D. M. Kolmak
Chapter 53 Research of Geometrical and Electronic Structure of Molecule 1,1-Dimethylindene by Method MNDO
365(6)
V. A. Babkin
D. M. Kolmak
Chapter 54 Research of Geometrical and Electronic Structure of Molecule 7-Methylindene by Method MNDO
371(6)
V. A. Babkin
D. M. Kolmak
Chapter 55 Research of Geometrical and Electronic Structure of Molecule 6-Methylindene by Method MNDO
377(6)
V. A. Babkin
D. M. Kolmak
Chapter 56 Research of Geometrical and Electronic Structure of Molecule 5-Methylindene by Method MNDO
383(6)
V. A. Babkin
D. M. Kolmak
Chapter 57 Research of Geometrical and Electronic Structure of Molecule 3-Methylindene by Method MNDO
389(6)
V. A. Babkin
D. M. Kolmak
Chapter 58 Research of Geometrical and Electronic Structure of Molecule 5,7-Dimethylindene by Method Ab Initio
395(6)
V. A. Babkin
D. S. Andreev
Chapter 59 Research of Geometrical and Electronic Structure of Molecule 5,6-Dimethylindene by Method Ab Initio
401(6)
V. A. Babkin
D. S. Andreev
Chapter 60 Research of Geometrical and Electronic Structure of Molecule 4,6-Dimethylindene by Method Ab Initio
407(6)
V. A. Babkin
D. S. Andreev
Chapter 61 Research of Geometrical and Electronic Structure of Molecule 1,1-Dimethylindene by Method Ab Initio
413(6)
V. A. Babkin
D. S. Andreev
Part XII AROMATIC OLEFINS
419(38)
Chapter 62 Research of Geometrical and Electronic Structure of Molecule 2,7-Diphenyloctadiene-1,7 by Method MNDO
421(6)
V. A. Babkin
A. V. Bokov
Chapter 63 Research of Geometrical and Electronic Structure of Molecule 2,6-Diphenylheptadiene-1,6 by Method MNDO
427(6)
V. A. Babkin
A. V. Bokov
Chapter 64 Research of Geometrical and Electronic Structure of Molecule 2,5-Diphenylhexadiene-1,5 by Method MNDO
433(6)
V. A. Babkin
A. V. Bokov
Chapter 65 Research of Geometrical and Electronic Structure of Molecule O-divinylbenzene by Method MNDO
439(6)
V. A. Babkin
A. V. Bokov
Chapter 66 Research of Geometrical and Electronic Structure of Molecule 1,2-Dihydronaphthalene by Method MNDO
445(6)
V. A. Babkin
D. V. Jukov
Chapter 67 Research of Geometrical and Electronic Structure of Molecule Allylbenzol by Method MNDO
451(6)
V. A. Babkin
D. V. Jukov
About the Editors 457(2)
Index 459