| Preface |
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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 Terpene-menthol by Method Ab Initio (Nobel Prize 1910, Otto Wallach) |
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3 | (4) |
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Chapter 2 Geometrical and Electronic Structure of Molecule Ammonia by Method Ab Initio (Nobel Prize 1918, Fritz Haber) |
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7 | (4) |
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Chapter 3 Geometrical and Electronic Structure of Molecule α-terpineol by Method MNDO (Nobel Prize 1910, Otto Wallach) |
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11 | (4) |
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Part II QUANTUM-CHEMICAL CALCULATION OF CELLULOSE |
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15 | (6) |
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Chapter 4 Geometrical and Electronic Structure of Molecule Dinitrocellulose by Method MNDO |
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17 | (4) |
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Part III QUANTUM-CHEMICAL CALCULATION OF MEDICAL PRODUCTS |
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21 | (8) |
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Chapter 5 Geometrical and Electronic Structure of Molecule Acetyl Chloride by Method MNDO |
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23 | (2) |
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Chapter 6 Geometrical and Electronic Structure of Molecule 4-methyl-2,6,7,3-oxa-1-fosfabicyclo[ 2,2,2]octane by Method MNDO |
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25 | (4) |
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Part IV QUANTUM-CHEMICAL CALCULATION OF JET ENGINE FUELS |
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29 | (8) |
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Chapter 7 Geometrical and Electronic Structure of Molecule Dimethylhydrazine by Method Ab Initio |
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31 | (4) |
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Chapter 8 Geometrical and Electronic Structure of Molecule Hydrogen Peroxide by Method Ab Initio |
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35 | (2) |
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Part V QUANTUM-CHEMICAL CALCULATION IN BIOCHEMISTRY |
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37 | (10) |
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Chapter 9 Geometrical and Electronic Structure of Molecule Adenine by Method Ab Initio |
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39 | (4) |
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Chapter 10 Geometrical and Electronic Structure of Molecule Guanine by Method Ab Initio |
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43 | (4) |
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Part VI QUANTUM-CHEMICAL CALCULATION OF LINEAR OLEFINS OF CATIONIC POLYMERIZATION BY METHOD AB INITIO |
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47 | (14) |
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Chapter 11 Geometrical and Electronic Structure of Molecule Dekene-1 by Method Ab Initio |
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49 | (4) |
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Chapter 12 Geometrical and Electronic Structure of Molecule Nonene-1 by Method Ab Initio |
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53 | (4) |
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Chapter 13 Geometrical and Electronic Structure of Molecule Octene-1 by Method Ab Initio |
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57 | (4) |
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Part VII QUANTUM-CHEMICAL CALCULATION OF LINEAR OLEFINS BY METHOD MNDO |
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61 | (14) |
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Chapter 14 Geometrical and Electronic Structure of Molecule Dekene-1 by Method MNDO |
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63 | (4) |
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Chapter 15 Geometrical and Electronic Structure of Molecule Nonene-1 by Method MNDO |
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67 | (4) |
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Chapter 16 Geometrical and Electronic Structure of Molecule Octene-1 by Method MNDO |
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71 | (4) |
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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 |
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75 | (6) |
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Chapter 17 Geometrical and Electronic Structure of Molecule 3-methylpentene-1 by Method Ab Initio |
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77 | (4) |
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Part IX QUANTUM-CHEMICAL CALCULATION OF LINEAR MONOMERS, BRANCHED OUT IN A-POSITION IN RELATION TO DOUBLE BOND BY METHOD MNDO |
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81 | (6) |
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Chapter 18 Geometrical and Electronic Structure of Molecule 3-methylpentene-1 by Method MNDO |
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83 | (4) |
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Part X QUANTUM-CHEMICAL CALCULATION OF LINEAR MONOMERS, BRANCHED OUT IN Γ-, Δ-, E-POSITION IN RELATION TO DOUBLE BOND BY AB INITIO |
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87 | (14) |
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Chapter 19 Geometrical and Electronic Structure of Molecule 5-methylhexene-1 by Method Ab Initio |
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89 | (4) |
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Chapter 20 Geometrical and Electronic Structure of Molecule 5-methylheptene-1 by Method Ab Initio |
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93 | (4) |
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Chapter 21 Geometrical and Electronic Structure of Molecule 6-methylheptene-1 by Method Ab Initio |
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97 | (4) |
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Part XI QUANTUM-CHEMICAL CALCULATION OF ISOOLEFINS BY METHOD AB INITIO |
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101 | (10) |
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Chapter 22 Geometrical and Electronic Structure of Molecule 2-ethylebutene-1 by Method Ab Initio |
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103 | (4) |
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Chapter 23 Geometrical and Electronic Structure of Molecule 2, 3-dimethylbutene-1 by Method Ab Initio |
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107 | (4) |
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Part XII QUANTUM-CHEMICAL CALCULATION OF ISOOLEFINS BY METHOD MNDO |
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111 | (10) |
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Chapter 24 Geometrical and Electronic Structure of Molecule 2-ethylebutene-1 by Method MNDO |
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113 | (4) |
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Chapter 25 Geometrical and Electronic Structure of Molecule 2, 3-dimethylbutene-1 by Method MNDO |
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117 | (4) |
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Part XIII QUANTUM-CHEMICAL CALCULATION OF DIENES AND TRIENES BY METHOD AB INITIO |
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121 | (26) |
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Chapter 26 Geometrical and Electronic Structure of Molecule Trans-3-methylpentadiene-1,3 by Method Ab Initio |
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123 | (4) |
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Chapter 27 Geometrical and Electronic Structure of Molecule Cis-3-methylpentadiene-1,3 by Method Ab Initio |
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127 | (4) |
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Chapter 28 Geometrical and Electronic Structure of Molecule 4-methylpentadiene-1,3 by Method Ab Initio |
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131 | (4) |
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Chapter 29 Geometrical and Electronic Structure of Molecule 2, 4-dimethylpentadiene-1,3 by Method Ab Initio |
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135 | (4) |
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Chapter 30 Geometrical and Electronic Structure of Molecule 1,1,4, 4-tetramethylbutadiene-1,3 by Method Ab Initio |
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139 | (4) |
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Chapter 31 Geometrical and Electronic Structure of Molecule Mircen by Method Ab Initio |
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143 | (4) |
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Part XIV QUANTUM-CHEMICAL CALCULATION OF DIENES AND TRIENES BY METHOD MNDO |
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147 | (22) |
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Chapter 32 Geometrical and Electronic Structure of Molecule Cis-3-methylpentadiene-1,3 by Method MNDO |
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149 | (4) |
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Chapter 33 Geometrical and Electronic Structure of Molecule 4-methylpentadiene-1,3 by Method MNDO |
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153 | (4) |
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Chapter 34 Geometrical and Electronic Structure of Molecule 1,1,4, 4-tetramethylbutadiene-1,3 by Method MNDO |
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157 | (4) |
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Chapter 35 Geometrical and Electronic Structure of Molecule Mircen by Method MNDO |
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161 | (4) |
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Chapter 36 Geometrical and Electronic Structure of Molecule 2-phenylbutadiene-1,3 by Method MNDO |
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165 | (4) |
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Part XV STYRENE AND ITS DERIVATIONS |
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169 | (18) |
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Chapter 37 Geometrical and Electronic Structure of Molecule Trans-p-metoxi-β-methystyrene by Method MNDO |
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171 | (4) |
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Chapter 38 Geometrical and Electronic Structure of Molecule Cis-β-n-propilstyrene by Method MNDO |
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175 | (4) |
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Chapter 39 Geometrical and Electronic Structure of Molecule Cis-p-etoxi-β-methylstyrene by Method MNDO |
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179 | (4) |
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Chapter 40 Geometrical and Electronic Structure of Molecule Trans-p-etoxi-β-methylstyrene by Method MNDO |
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183 | (4) |
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Part XVI INDENE AND ITS ERO DERIVATIONS |
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187 | (14) |
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Chapter 41 Geometrical and Electronic Structure of Molecule 1,4 -(1,1'-diindenyl)trans-butene-2 by Method MNDO |
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189 | (4) |
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Chapter 42 Geometrical and Electronic Structure of Molecule 1,2 -(3,3'-diindenyl)butan by Method MNDO |
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193 | (4) |
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Chapter 43 Geometrical and Electronic Structure of Molecule 1,2-(3,3'-diindenyl)etan by Method MNDO |
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197 | (4) |
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Part XVII BICYCLIC OLEFINS |
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201 | (18) |
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Chapter 44 Geometrical and Electronic Structure of Molecule 2-(bicyclo[ 2,2,1]heptan)propene by Method Ab Initio |
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203 | (4) |
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Chapter 45 Geometrical and Electronic Structure of Molecule 2-vinilbicyclo[ 2,2,1]heptan by Method Ab Initio |
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207 | (4) |
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Chapter 46 Geometrical and Electronic Structure of Molecule 2-methylene-3,3-dimethylbicyclo[ 2,2,1]heptane by Method Ab Initio |
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211 | (4) |
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Chapter 47 Geometrical and Electronic Structure of Molecule 2-methylbicyclo[ 2,2,1] Heptane by Method Ab Initio |
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215 | (4) |
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Part XVIII COMPOUND WITH SMALL CYCLES |
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219 | (10) |
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Chapter 48 Geometrical and Electronic Structure of Molecule Ethylcyclopropane by Method Ab Initio |
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221 | (4) |
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Chapter 49 Geometrical and Electronic Structure of Molecule Cyclopropane by Method Ab Initio |
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225 | (4) |
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| About the Editors |
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229 | (2) |
| Index |
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231 | |
Biežāk uzdotie jautājumi par e-grāmatām