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Quantum-Chemical Calculations of Molecular System as the Basis of Nanotechnologies in Applied Quantum Chemistry: Volume 3 [Hardback]

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Edited by V A Babkin, Edited by G E Zaikov

Formāts: Hardback, 233 pages, height x width: 155x230 mm, weight: 608 g
Izdošanas datums: 01-Jul-2011
Izdevniecība: Nova Science Publishers Inc
ISBN-10: 1613242832
ISBN-13: 9781613242834

Citas grāmatas par šo tēmu:

Chemistry - (Noliktavā: 2 punkts)

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Cena: 210,76 €
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Formāts: Hardback, 233 pages, height x width: 155x230 mm, weight: 608 g
Izdošanas datums: 01-Jul-2011
Izdevniecība: Nova Science Publishers Inc
ISBN-10: 1613242832
ISBN-13: 9781613242834

Citas grāmatas par šo tēmu:

Chemistry - (Noliktavā: 2 punkts)

Permanent link: https://www.kriso.lv/db/9781613242834.html

Keywords:

Preface

Part I QUANTUM-CHEMICAL CALCULATION OF CHEMICAL COMPOUNDS, SYNTHESIZED BY LAUREATES OF NOBEL PRIZE

(14)

Chapter 1 Geometrical and Electronic Structure of Molecule Terpene-menthol by Method Ab Initio (Nobel Prize 1910, Otto Wallach)

(4)

V. A. Babkin

A. B. Tsykanov

G. E. Zaikov

Chapter 2 Geometrical and Electronic Structure of Molecule Ammonia by Method Ab Initio (Nobel Prize 1918, Fritz Haber)

(4)

V. A. Babkin

V. Yu. Dmitriev

G. E. Zaikov

Chapter 3 Geometrical and Electronic Structure of Molecule α-terpineol by Method MNDO (Nobel Prize 1910, Otto Wallach)

(4)

V. A. Babkin

A. B. Tsykanov

Part II QUANTUM-CHEMICAL CALCULATION OF CELLULOSE

(6)

Chapter 4 Geometrical and Electronic Structure of Molecule Dinitrocellulose by Method MNDO

(4)

V. A. Babkin

A. B. Tsykanov

Part III QUANTUM-CHEMICAL CALCULATION OF MEDICAL PRODUCTS

(8)

Chapter 5 Geometrical and Electronic Structure of Molecule Acetyl Chloride by Method MNDO

(2)

V. A. Babkin

V. Yu. Dmitriev

Chapter 6 Geometrical and Electronic Structure of Molecule 4-methyl-2,6,7,3-oxa-1-fosfabicyclo[ 2,2,2]octane by Method MNDO

(4)

V. A. Babkin

V. Yu. Dmitriev

Part IV QUANTUM-CHEMICAL CALCULATION OF JET ENGINE FUELS

(8)

Chapter 7 Geometrical and Electronic Structure of Molecule Dimethylhydrazine by Method Ab Initio

(4)

V. A. Babkin

V. Yu. Dmitriev

G. E. Zaikov

Chapter 8 Geometrical and Electronic Structure of Molecule Hydrogen Peroxide by Method Ab Initio

(2)

V. A. Babkin

V. Yu. Dmitriev

G. E. Zaikov

Part V QUANTUM-CHEMICAL CALCULATION IN BIOCHEMISTRY

(10)

Chapter 9 Geometrical and Electronic Structure of Molecule Adenine by Method Ab Initio

(4)

V. A. Babkin

V. Yu. Dmitriev

E. S. Titova

G. E. Zaikov

Chapter 10 Geometrical and Electronic Structure of Molecule Guanine by Method Ab Initio

(4)

V. A. Babkin

V. Yu. Dmitriev

E. S. Titova

G. E. Zaikov

Part VI QUANTUM-CHEMICAL CALCULATION OF LINEAR OLEFINS OF CATIONIC POLYMERIZATION BY METHOD AB INITIO

(14)

Chapter 11 Geometrical and Electronic Structure of Molecule Dekene-1 by Method Ab Initio

(4)

V. A. Babkin

V. Yu. Dmitriev

G. E. Zaikov

Chapter 12 Geometrical and Electronic Structure of Molecule Nonene-1 by Method Ab Initio

(4)

V. A. Babkin

V. Yu. Dmitriev

G. E. Zaikov

Chapter 13 Geometrical and Electronic Structure of Molecule Octene-1 by Method Ab Initio

(4)

V. A. Babkin

V. Yu. Dmitriev

G. E. Zaikov

Part VII QUANTUM-CHEMICAL CALCULATION OF LINEAR OLEFINS BY METHOD MNDO

(14)

Chapter 14 Geometrical and Electronic Structure of Molecule Dekene-1 by Method MNDO

(4)

V. A. Babkin

V. Yu. Dmitriev

G. E. Zaikov

Chapter 15 Geometrical and Electronic Structure of Molecule Nonene-1 by Method MNDO

(4)

V. A. Babkin

V. Yu. Dmitriev

G. E. Zaikov

Chapter 16 Geometrical and Electronic Structure of Molecule Octene-1 by Method MNDO

(4)

V. A. Babkin

V. Yu. Dmitriev

G. E. Zaikov

Part VIII QUANTUM-CHEMICAL CALCULATION OF LINEAR OLEFINS OF CATIONIC POLYMERIZATION, BRANCHED OUT IN A-POSITION IN RELATION TO DOUBLE BOND BY METHOD AB INITIO

(6)

Chapter 17 Geometrical and Electronic Structure of Molecule 3-methylpentene-1 by Method Ab Initio

(4)

V. A. Babkin

V. V. Galenkin

Part IX QUANTUM-CHEMICAL CALCULATION OF LINEAR MONOMERS, BRANCHED OUT IN A-POSITION IN RELATION TO DOUBLE BOND BY METHOD MNDO

(6)

Chapter 18 Geometrical and Electronic Structure of Molecule 3-methylpentene-1 by Method MNDO

(4)

V. A. Babkin

V. V. Galenkin

Part X QUANTUM-CHEMICAL CALCULATION OF LINEAR MONOMERS, BRANCHED OUT IN Γ-, Δ-, E-POSITION IN RELATION TO DOUBLE BOND BY AB INITIO

(14)

Chapter 19 Geometrical and Electronic Structure of Molecule 5-methylhexene-1 by Method Ab Initio

(4)

V. A. Babkin

D. S. Andreev

Chapter 20 Geometrical and Electronic Structure of Molecule 5-methylheptene-1 by Method Ab Initio

(4)

V. A. Babkin

D. S. Andreev

Chapter 21 Geometrical and Electronic Structure of Molecule 6-methylheptene-1 by Method Ab Initio

(4)

V. A. Babkin

D. S. Andreev

Part XI QUANTUM-CHEMICAL CALCULATION OF ISOOLEFINS BY METHOD AB INITIO

101

(10)

Chapter 22 Geometrical and Electronic Structure of Molecule 2-ethylebutene-1 by Method Ab Initio

103

(4)

V. A. Babkin

D. S. Andreev

Chapter 23 Geometrical and Electronic Structure of Molecule 2, 3-dimethylbutene-1 by Method Ab Initio

107

(4)

V. A. Babkin

D. S. Andreev

Part XII QUANTUM-CHEMICAL CALCULATION OF ISOOLEFINS BY METHOD MNDO

111

(10)

Chapter 24 Geometrical and Electronic Structure of Molecule 2-ethylebutene-1 by Method MNDO

113

(4)

V. A. Babkin

D. S. Andreev

Chapter 25 Geometrical and Electronic Structure of Molecule 2, 3-dimethylbutene-1 by Method MNDO

117

(4)

V. A. Babkin

D. S. Andreev

Part XIII QUANTUM-CHEMICAL CALCULATION OF DIENES AND TRIENES BY METHOD AB INITIO

121

(26)

Chapter 26 Geometrical and Electronic Structure of Molecule Trans-3-methylpentadiene-1,3 by Method Ab Initio

123

(4)

V. A. Babkin

D. S. Andreev

Chapter 27 Geometrical and Electronic Structure of Molecule Cis-3-methylpentadiene-1,3 by Method Ab Initio

127

(4)

V. A. Babkin

D. S. Andreev

Chapter 28 Geometrical and Electronic Structure of Molecule 4-methylpentadiene-1,3 by Method Ab Initio

131

(4)

V. A. Babkin

D. S. Andreev

Chapter 29 Geometrical and Electronic Structure of Molecule 2, 4-dimethylpentadiene-1,3 by Method Ab Initio

135

(4)

V. A. Babkin

D. S. Andreev

Chapter 30 Geometrical and Electronic Structure of Molecule 1,1,4, 4-tetramethylbutadiene-1,3 by Method Ab Initio

139

(4)

V. A. Babkin

D. S. Andreev

Chapter 31 Geometrical and Electronic Structure of Molecule Mircen by Method Ab Initio

143

(4)

V. A. Babkin

D. S. Andreev

Part XIV QUANTUM-CHEMICAL CALCULATION OF DIENES AND TRIENES BY METHOD MNDO

147

(22)

Chapter 32 Geometrical and Electronic Structure of Molecule Cis-3-methylpentadiene-1,3 by Method MNDO

149

(4)

V. A. Babkin

D. S. Andreev

Chapter 33 Geometrical and Electronic Structure of Molecule 4-methylpentadiene-1,3 by Method MNDO

153

(4)

V. A. Babkin

D. S. Andreev

Chapter 34 Geometrical and Electronic Structure of Molecule 1,1,4, 4-tetramethylbutadiene-1,3 by Method MNDO

157

(4)

V. A. Babkin

D. S. Andreev

Chapter 35 Geometrical and Electronic Structure of Molecule Mircen by Method MNDO

161

(4)

V. A. Babkin

D. S. Andreev

Chapter 36 Geometrical and Electronic Structure of Molecule 2-phenylbutadiene-1,3 by Method MNDO

165

(4)

V. A. Babkin

D.S. Andreev

Part XV STYRENE AND ITS DERIVATIONS

169

(18)

Chapter 37 Geometrical and Electronic Structure of Molecule Trans-p-metoxi-β-methystyrene by Method MNDO

171

(4)

V. A. Babkin

D. S. Andreev

Chapter 38 Geometrical and Electronic Structure of Molecule Cis-β-n-propilstyrene by Method MNDO

175

(4)

V. A. Babkin

D. S. Andreev

Chapter 39 Geometrical and Electronic Structure of Molecule Cis-p-etoxi-β-methylstyrene by Method MNDO

179

(4)

V. A. Babkin

D. S. Andreev

Chapter 40 Geometrical and Electronic Structure of Molecule Trans-p-etoxi-β-methylstyrene by Method MNDO

183

(4)

V. A. Babkin

D. S. Andreev

Part XVI INDENE AND ITS ERO DERIVATIONS

187

(14)

Chapter 41 Geometrical and Electronic Structure of Molecule 1,4 -(1,1'-diindenyl)trans-butene-2 by Method MNDO

189

(4)

V. A. Babkin

I. N. Kozlov

Chapter 42 Geometrical and Electronic Structure of Molecule 1,2 -(3,3'-diindenyl)butan by Method MNDO

193

(4)

V. A. Babkin

I. N. Kozlov

Chapter 43 Geometrical and Electronic Structure of Molecule 1,2-(3,3'-diindenyl)etan by Method MNDO

197

(4)

V. A. Babkin

I. N. Kozlov

Part XVII BICYCLIC OLEFINS

201

(18)

Chapter 44 Geometrical and Electronic Structure of Molecule 2-(bicyclo[ 2,2,1]heptan)propene by Method Ab Initio

203

(4)

V. A. Babkin

D. S. Andreev

Chapter 45 Geometrical and Electronic Structure of Molecule 2-vinilbicyclo[ 2,2,1]heptan by Method Ab Initio

207

(4)

V. A. Babkin

D. S. Andreev

Chapter 46 Geometrical and Electronic Structure of Molecule 2-methylene-3,3-dimethylbicyclo[ 2,2,1]heptane by Method Ab Initio

211

(4)

V. A. Babkin

D. S. Andreev

Chapter 47 Geometrical and Electronic Structure of Molecule 2-methylbicyclo[ 2,2,1] Heptane by Method Ab Initio

215

(4)

V. A. Babkin

D. S. Andreev

Part XVIII COMPOUND WITH SMALL CYCLES

219

(10)

Chapter 48 Geometrical and Electronic Structure of Molecule Ethylcyclopropane by Method Ab Initio

221

(4)

V. A. Babkin

D. S. Andreev

E. S. Titova

Chapter 49 Geometrical and Electronic Structure of Molecule Cyclopropane by Method Ab Initio

225

(4)

V. A. Babkin

D. S. Andreev

E. S. Titova

About the Editors

229

(2)

Index

231

Quantum-Chemical Calculations of Molecular System as the Basis of Nanotechnologies in Applied Quantum Chemistry: Volume 3 [Hardback]

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