Table Of ContentCHEMISTRY RESEARCH SUMMARIES
C R S
HEMISTRY ESEARCH UMMARIES
VOLUME 16
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CHEMISTRY RESEARCH SUMMARIES
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CHEMISTRY RESEARCH SUMMARIES
C R S
HEMISTRY ESEARCH UMMARIES
VOLUME 16
LUCILLE MONACO CACIOPPO
EDITOR
New York
Copyright © 2015 by Nova Science Publishers, Inc.
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CONTENTS
Preface xvii
Chapter 1 Research of Geometrical and Electronic Structure of the Molecule
of Cyclohexane by Method MNDO 1
V. A. Babkin and D. S. Andreev
Chapter 2 Research of Geometrical and Electronic Structure of the Molecule
of Ammonia by Method MNDO 3
V. A. Babkin and D. S. Andreev
Chapter 3 Research of Geometrical and Electronic Structure of the Molecule
of Purine by Method MNDO 5
V. A. Babkin and D. S. Andreev
Chapter 4 Research of Geometrical and Electronic Structure of the Molecule
of Benzylpenicillin by Method MNDO 7
V. A. Babkin and D. S. Andreev
Chapter 5 Research of Geometrical and Electronic Structure of Molecule
of Cholesteric Liquid Crystal Amyl-PARA- (4-
Cyanobenzylidenamino)-Cinnamat by Method MNDO 9
V. A. Babkin and 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 11
V. A. Babkin and D. S. Andreev
Chapter 7 Estimation of Acid Force of Components of Synthesis 1-[2-(О-
Acetylmethyl)-3-О-Acetyl-2- Ethyl]- Methyldichlorinephosphite 13
V. A. Babkin, V. Yu. Dmitriev, G. A. Savin and G. E. Zaikov
Chapter 8 About the Geometrical and Electronic Structure Molecule Gopane 15
V. A. Babkin, R. G. Fedunov and А. А. Оstrouxov
vi Contents
Chapter 9 About the Geometrical and Electronic Structure
Molecule Diagopane 17
V. A. Babkin, R. G. Fedunov and А. А. Оstrouxov
Chapter 10 Research of Geometrical and Electronic Structure
of О – allyl Ethers 19
V. A. Babkin, А. V. Tsykanov and O. P. Buzinova
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 21
V. A. Babkin and 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 23
V. A. Babkin and D. S. Andreev
Chapter 13 Quantum-Chemical Studying of the Mechanism of
Protonation of Alicyclic Olefin Cationic Polymerization
3- Methylmethylenecyclohexane 25
V. A. Babkin, V. Yu. Dmitriev and G. E. Zaikov
Chapter 14 Estimation of Acid Force of Isoolefins 27
V. A. Babkin, D. A. Frolov, Yu. A. Sangalov
and G. E. Zaikov
Chapter 15 Research of Geometrical and Electronic Structure of Molecule
Allylcyclohexane by Method Ab Initio 29
V. А. Babkin and D. S. Andreev
Chapter 16 Research of Geometrical and Electronic Structure of Molecule
Vinylcyclohexane by Method Ab Initio 31
V. А. Babkin and D. S. Andreev
Chapter 17 Research of Geometrical and Electronic Structure of Molecule
4-Methylmethylenecyclohexane by Method Ab Initio 33
V. А. Babkin and D. S. Andreev
Chapter 18 Research of Geometrical and Electronic Structure of Molecule
Methylenecyclopentane by Method Ab Initio 35
V. А. Babkin and D. S. Andreev
Chapter 19 Research of Geometrical and Electronic Structure of Molecule
1-Methylcyclopentene by Method Ab Initio 37
V. А. Babkin and D. S. Andreev
Chapter 20 Research of Geometrical and Electronic Structure of Molecule
3-Methylcyclopentene by Method Ab Initio 39
V. А. Babkin and D. S. Andreev
Contents vii
Chapter 21 Research of Geometrical and Electronic Structure of Molecule
Cyclopentene by Method Ab Initio 41
V. А. Babkin and D. S. Andreev
Chapter 22 Research of Geometrical and Electronic Structure of Molecule
Methylenecyclopentene by Method Ab Initio 43
V. А. Babkin and D. S. Andreev
Chapter 23 Research of Geometrical and Electronic Structure of Molecule
1,2-Dicyclopropylethylene by Method Ab Initio 45
V. А. Babkin and D. S. Andreev
Chapter 24 Research of Geometrical and Electronic Structure of Molecule
Isopropenylcyclopropane by Method Ab Initio 47
V. А. Babkin and D. S. Andreev
Chapter 25 Research of Geometrical and Electronic Structure of Molecule
Vinylcyclopropane by Method Ab Initio 49
V. А. Babkin and D. S. Andreev
Chapter 26 Research of Geometrical and Electronic Structure of Molecule
Methylenecyclopropane by Method Ab Initio 51
V. А. Babkin and D. S. Andreev
Chapter 27 Research of Geometrical and Electronic Structure of Molecule
1-Methyl-1,3-Cyclopentadiene by Method MNDO 53
V. А. Babkin and N. А. Azaryan
Chapter 28 Research of Geometrical and Electronic Structure of Molecule
1,3-Cyclopentadiene by Method MNDO 55
V. А. Babkin and N. А. Azaryan
Chapter 29 Research of Geometrical and Electronic Structure of Molecule
1-Methyl-3-Methylenecyclobutene by Method MNDO 57
V. А. Babkin and N. А. Azaryan
Chapter 30 Research of Geometrical and Electronic Structure of Molecule
3-Methylenecyclobutene by Method MNDO 59
V. А. Babkin and N. А. Azaryan
Chapter 31 Research of Geometrical and Electronic Structure of Molecule
1-Methyl-1,3-Cyclopenadiene by Method Ab Initio 61
V. А. Babkin and D. S. Andreev
Chapter 32 Research of Geometrical and Electronic Structure of Molecule
1,3-Cyclopenadiene by Method Ab Initio 63
V. А. Babkin and D. S. Andreev
Chapter 33 Research of Geometrical and Electronic Structure of Molecule
1-Methyl-3-Methylene-1,3-Cyclobutene by Method Ab Initio 65
V. А. Babkin and D. S. Andreev
viii Contents
Chapter 34 Research of Geometrical and Electronic Structure of Molecule
1-Methylbicyclo[6,1,0]Octane by Method MNDO 67
V. А. Babkin and S. М. Shamin
Chapter 35 Research of Geometrical and Electronic Structure of Molecule
3-Methylbicyclo[4,1,0]Heptane by Method MNDO 69
V. А. Babkin and S. М. Shamin
Chapter 36 Research of Geometrical and Electronic Structure of Molecule
2-Methylbicyclo[4,1,0]Heptane by Method MNDO 71
V. А. Babkin and S. М. Shamin
Chapter 37 Research of Geometrical and Electronic Structure of Molecule
1-Methylbicyclo[4,1,0]Heptane by Method MNDO 73
V. А. Babkin and S. М. Shamin
Chapter 38 Research of Geometrical and Electronic Structure of Molecule
2-Phenyl-1,1-Dichlorinecyclopropane by Method Ab Initio 75
V. A. Babkin and D. S. Andreev
Chapter 39 Research of Geometrical and Electronic Structure of Molecule
Isopropylcyclobutane by Method Ab Initio 77
V. A. Babkin and D. S. Andreev
Chapter 40 Research of Geometrical and Electronic Structure of Molecule
Ethylcyclobutane by Method Ab Initio 79
V. A. Babkin and D. S. Andreev
Chapter 41 Research of Geometrical and Electronic Structure of Molecule
Methylcyclobutane by Method Ab Initio 81
V. A. Babkin and D. S. Andreev
Chapter 42 Research of Geometrical and Electronic Structure of Molecule
Bicyclo[6,1,0]Nonene-4 by Method Ab Initio 83
V. A. Babkin and 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 85
V. A. Babkin and 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 87
V. A. Babkin and D. S. Andreev
Chapter 45 Research of Geometrical and Electronic Structure of Molecule
9,9-Dichlorobicyclo[5,1,0]Nonane by Method Ab Initio 89
V. A. Babkin and D. S. Andreev
Chapter 46 Research of Geometrical and Electronic Structure of Molecule
P-Fluorostyrene by Method MNDO 91
V. А. Babkin and К. S. Мedvedeva
