| Forward |
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xiii | |
| Preface |
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xv | |
| Main Dates of Life and Creative Scientific Activity of Prof. Babkin V.A. |
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xvii | |
| Part I. Quantum-Chemical Calculation Of Chemical Compounds, Synthesized By Laureates Of Nobel Prize |
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1 | (14) |
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Chapter 1 Geometrical and Electronic Structure of Molecule Vitamin "C" by Method MNDO |
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3 | (4) |
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Chapter 2 Geometrical and Electronic Structure of Molecule Benzilpenicillin by Method Ab Initio |
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7 | (4) |
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Chapter 3 Geometrical and Electronic Structure of Molecule Vitamin "A" by Method MNDO_(Nobel Prize 1937, Paul Karrer) |
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11 | (4) |
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| Part II. Quantum-Chemical Calculation Of Liquid Crystal |
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15 | (14) |
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Chapter 4 Geometrical and Electronic Structure of Molecules Nematic, Smectic, Holesteric Liquid Crystal by Method MNDO |
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17 | (8) |
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Chapter 5 Geometrical and Electronic Structure of Molecule Holesterinbenzoat by Method MNDO |
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25 | (4) |
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| Part III. Quantum-Chemical Calculation Of Cellulose |
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29 | (6) |
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Chapter 6 Geometrical and Electronic Structure of Molecule Cellulose by Method Ab Initio |
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31 | (4) |
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| Part IV. Quantum-Chemical Calculation Of Medical Products |
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35 | (46) |
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Chapter 7 Quantum-chemical Analysis of Reactivity of S- and O-anions, Generated from 6-methyl-2-thio-, 2-alkyl(aralkyl)thiouracils |
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37 | (10) |
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Chapter 8 S- and O-anions, Generated from 6-methyl-2-thio-, 2-thioalkyl(aralkyl)uracils, in Synthesis of S-mono- and S-,O Diderivations |
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47 | (16) |
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Chapter 9 Quantum Chemical Research of Mechanism Synthesys of 2 Methylsulfanil-4-oxymethyl Pyrimidine |
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63 | (18) |
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| Part V. Quantum-Chemical Calculation Of Jet Engine Fuels |
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81 | (12) |
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Chapter 10 Parameters of Burning Rocket Fuels in Dioxifluoride |
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83 | (6) |
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Chapter 11 Geometrical and Electronic Structure of Molecule Aniline by Method Ab Initio |
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89 | (4) |
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| Part VI. Quantum-Chemical Calculation In Biochemistry |
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93 | (14) |
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Chapter 12 Geometrical and Electronic of the Stricture of Monoaminocarboxylic |
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95 | (12) |
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| Part VII. Quantum-Chemical Calculation Of Linear Olefins Of Cationic Polymerization By Method Ab Initio |
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107 | (10) |
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Chapter 13 Geometrical and Electronic Stricture of Molecule Butene-1 by Method Ab Initio |
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109 | (4) |
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Chapter 14 Geometrical and Electronic Stricture of Molecule Butene-2 by Method Ab Initio |
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113 | (4) |
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| Part VIII. Quantum-Chemical Calculation Of Linear Olefins By Method Mndo |
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117 | (10) |
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Chapter 15 Geometrical and Electronic Stricture of Molecule Butene-1 by Method MNDO |
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119 | (4) |
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Chapter 16 Geometrical and Electronic Structure of Molecule Butene-2 by Method MNDO |
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123 | (4) |
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| Part IX. Quantum-Chemical Calculation Of Linear Monomers, Ranched Out In A-Position In Relation To Double Bond By Method Ab Initio |
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127 | (6) |
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Chapter 17 Geometrical and Electronic Structure of Molecule 3,3-dimethylbutene-1 by Method Ab Initio |
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129 | (4) |
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| Part X. Quantum-Chemical Calculation Of Linear Monomers, Branched Out In A-Position In Relation To Double Bond By Method MNDO |
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133 | (6) |
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Chapter 18 Geometrical and Electronic Structure of Molecule 3,3-dimethylbutene-1 by Method MNDO |
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135 | (4) |
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| Part XI. Quantum-Chemical Calculation Of Linear Olefins Of Cationic Polymerization, Branched Out In A-Position In Relation To Double Bond By Method Ab Initio |
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139 | (14) |
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Chapter 19 Geometrical and Electronic Structure of Molecule 4,4-dimethylpentene-1 by method Ab Initio |
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141 | (4) |
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Chapter 20 Geometrical and Electronic Structure of Molecule 4-Methylhexene-1 by Method Ab Initio |
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145 | (4) |
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Chapter 21 Geometrical and Electronic Structure of Molecule 4-Methylpentene-1 by Method Ab Initio |
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149 | (4) |
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| Quantum-Chemical Calculation Of Isoolefins By Method Ab Initio |
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153 | (10) |
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Chapter 22 Geometrical and Electronic Structure of Molecule Isobutylene by Method Ab Initio |
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155 | (4) |
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Chapter 23 Geometrical and Electronic Structure of Molecule 2-Methylbutene-1 by Method Ab Initio |
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159 | (4) |
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| Part XIII. Quantum-Chemical Calculation Of Isoolefins By Method MNDO |
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163 | (10) |
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Chapter 24 Geometrical and Electronic Structure of Molecule Isobutylene by Method MNDO |
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165 | (4) |
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Chapter 25 Geometrical and Electronic Structure of Molecule 2-Methylbutene-1 by Method MNDO |
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169 | (4) |
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| Part XIV. Quantum-Chemical Calculation Of Dienes And Trienes By Method Abinitio |
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173 | (18) |
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Chapter 26 Geometrical and Electronic Structure of Molecule Butadienee-1,3 by Method Ab Initio |
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175 | (4) |
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Chapter 27 Geometrical and Electronic Stricture of Molecule 2-methylbutadiene-1,3 by Method Ab Initio |
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179 | (4) |
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Chapter 28 Geometrical and Electronic Structure of Molecule 2,3-dimethylbutadiene-l,3 by Method Ab Initio |
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183 | (4) |
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Chapter 29 Geometrical and Electronic Structure of Molecule Pentadien-1,3 by Method Ab Initio |
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187 | (4) |
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| Part XV. Quantum-Chemical Calculation Of Dienes And Trienes By Method MNDO |
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191 | (16) |
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Chapter 30 Geometrical and Electronic Structure of Molecule butadiene-1,3 by Method MNDO |
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193 | (4) |
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Chapter 31 Geometrical and Electronic Structure of Molecule 2-methylbutadiene-1,3 by Method MNDO |
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197 | (4) |
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Chapter 32 Geometrical and Electronic Structure of Molecule 2,3-dimethylbutadiene-1,3 by Method MNDO |
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201 | (4) |
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Chapter 33 Geometrical and Electronic Structure of Molecule Pentadien-1,3 by Method MNDO |
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205 | (2) |
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| Part XVI. Styrene And Its Derivations |
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207 | (30) |
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Chapter 34 Geometrical and Electronic Structure of Molecule Some Styrenes by Method MNDO |
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209 | (10) |
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Chapter 35 Geometrical and Electronic Structure of Molecules some Styrenes by Method MNDO |
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219 | (10) |
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Chapter 36 Geometrical and Electronic Structure of Molecule Some Styrenees by Method MNDO |
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229 | (8) |
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| Part XVII. Indene And Its Derivations |
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237 | (10) |
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Chapter 37 Geometrical and Electronic Structure of Molecule 4,5,6,7 tetramethylindene by Method Ab Initio |
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239 | (4) |
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Chapter 38 Geometrical and Electronic Structure of Molecule brombutylindene by Method MNDO |
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243 | (4) |
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| Part XVIII. Bicyclic Olefins |
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247 | (18) |
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Chapter 39 Geometrical and Electronic Structure of Molecule Exo dicyclopentadiene by Method Ab Initio |
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249 | (4) |
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Chapter 40 Geometrical and Electronic Structure of Molecule Endo dicyclopentadiene by Method Ab Initio |
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253 | (4) |
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Chapter 41 Geometrical and Electronic Structure of Molecule 9,10-dihydro endo-dicyclopentadiene by Method Ab Initio |
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257 | (4) |
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Chapter 42 Geometrical and Electronic Structure of Molecule 1,2-Dihydro endo-dicyclopentadien by Method Ab Initio |
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261 | (4) |
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| Part XIX. Compounds With Small Cycles |
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265 | (10) |
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Chapter 43 Geometrical and Electronic Structure of Molecule 1,2-dimethylcyclopropan by Method Ab Initio |
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267 | (4) |
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Chapter 44 Geometrical and Electronic Structure of Molecule 1,1-dimethylcyclopropane by Method Ab Initio |
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271 | (4) |
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| About the Editors |
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275 | (2) |
| Index |
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277 | |
Lisainfo e-raamatute kohta