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Table of Contents:
Part I. Quantum-chemical calculation of chemical compounds, synthesized by laureates of Nobel Prize
1. Geometrical and electronic structure of molecule vitamin «B2» by method MNDO;pp. 3-5
(V.A. Babkin, D.S. Andreev, E.S. Titova, G.E. Zaikov, Volograd State Architect-Build University Sebrykov Dept. Michailovka, Russia and others)
2. Geometrical and electronic structure of molecule vitamin «E» by method MNDO;pp. 7-10
(V.A. Babkin, D.S. Andreev, V.Yu. Dmitriev, E.S. Titova, G.E. Zaikov,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia and others)
3. Geometrical and electronic structure of molecule cyclohexane by method AB INITIO;pp. 11-13
(V.A. Babkin, V.Yu. Dmitriev, G.E. Zaikov,Volgograd State Architect-Build University Sebrykov Dept., Michailovka,Russia)
Part II. Quantum-chemical calculation of cellulose
4. Geometrical and electronic structure of molecule mononitrocellulose by method MNDO;pp. 17-20
(V.A. Babkin, А.В. Tsykanov,Volgograd State Pedagogical University, Russia and others)
Part III. Quantum-chemical calculation of medical products.
5. Quantum-chemical research of the mechanism of synthesis of 5-acetyloxymethyl-2-chlorineo-5-ethyl-1,2,3-dioxaphosphorynane;pp. 23-34
(V.A.Babkin, V.Yu. Dmitriev, G.A. Savin, E.S. Titova, G.E. Zaikov)
6. Quantum-Chemical Research Of The Mechanism Of Synthesis Of 2,2-Bi-(О-Acetyloxymethyl)-1-О-Acetylbutanol;pp. 35-47
(V.A. Babkin, V.Yu. Dmitriev, G.A. Savin, E.S. Titova, G.E. Zaikov,Institute of Biochemical Physics, Russian Academy of Sciences, Moscow and others)
7. Estimation Of Acid Force Of Components Of Synthesis Of 2,2-Bi-(О-Acetyloxymethyl)-1-О-Acetylbutanol;pp. 49-51
(V.A. Babkin, V.Yu. Dmitriev, G.A. Savin, E.S. Titova, G.E. Zaikov,Volgograd State Technical University, Russia and others)
Part IV. Quantum-chemical calculation of jet engine fuels
8. Geometrical and electronic structure of molecule hydrogen by method AB INITIO;pp. 55-56
(V.A. Babkin, V.Yu. Dmitriev, G.E. Zaikov,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)
9. Geometrical and electronic structure of molecule hydrazine by method AB INITIO;pp. 57-58
(V.A. Babkin, V.Yu. Dmitriev, G.E. Zaikov,Volgorad State Architect-Build University Sebrykov
dept.,Michailovka,Russia)
Part V. Quantum-chemical calculation in biochemistry
10. Geometrical and electronic structure of molecule ATP (adenosine triphosphate) by method AB INITIO;pp. 61-63
(Volgograd State Architect-Build University Sebrykov Dept.,Russia
(V.A. Babkin, V.Yu. Dmitriev, E.S. Titova., G.E. Zaikov)
11. Geometrical and electronic structure of molecule uracil;pp. 65-67
(V.A. Babkin, V.Yu. Dmitriev, E.S. Titova., G.E. Zaikov, Volgograd State Architect-Build University Sebrykov Dept., Russia)
Part VI. Quantum-chemical calculation of linear olefins of cationic polymerization by method AB INITIO
12. Geometrical and electronic structure of molecule hexene-1 by method AB INITIO;pp. 71-74
(V.A. Babkin, V.Yu. Dmitriev, G.E. Zaikov,Volgograd State Architect-Build University Sebrykov Dept.,Russia and others)
13. Geometrical and electronic structure of molecule hepten-1 by method AB INITIO;pp. 75-78
(V.A. Babkin, V.Yu. Dmitriev, G.E. Zaikov, Russian Academy of Sciences and others)
Part VII. Quantum-chemical calculation of linear olefins by method MNDO
14. Geometrical and electronic structure of molecule hexene-1 by method MNDO;pp. 81-83
(V.A. Babkin, V.Yu. Dmitriev, G.E. Zaikov, Volgograd State Architect-Build University Sebrykov Dept.,Russia)
15. Geometrical and electronic structure of molecule heptene- 1 by method MNDO;pp. 85-87
(V.A. Babkin, V.Yu. Dmitriev, G.E. Zaikov,Volgograd State Architect-Build University Sebrykov Dept.Russia)
Part VIII. Quantum-chemical calculation of linear olefins of cationic polymerization, branched out in α-position in relation to double bond by method AB INITIO
16. Geometrical and electronic structure of molecule 3-methylbutene-1 by method AB INITIO;pp. 91-93
(V. A. Babkin, V. V. Galenkin, Volgograd State Architect-build University,Sebrykov Dept.,Russia)
Part IX. Quantum-chemical calculation of linear monomers, branched out in α-position in relation to double bond by method MNDO
17. Geometrical and electronic structure of molecule 3-methylbutene-1 by method MNDO;pp. 97-99
(V. A. Babkin, V. V. Galenkin, Volgograd State Architect-build University, Sebrykov Dept.,Russia)
Part X. Quantum-chemical calculation of linear monomers, branched out in β-position in relation to double bond by method MNDO
18. Geometrical and electronic structure of molecule 4,4-dimethylpentene-1 by method MNDO;pp. 103-105
(V.A. Babkin, D.S. Andreev, Volgograd State Architect-build University,Sebrykov Dept.,Russia)
19. Geometrical and electronic structure of molecule 4-methylhexene-1 by method MNDO;pp. 107-109
(V.A. Babkin, D.S. Andreev, Volgograd State Architect-build University,Sebrykov Dept.,Russia)
20. Geometrical and electronic structure of molecule 4-methylpentene-1 by method MNDO;pp. 111-113
(V.A. Babkin, D.S. Andreev,Volgograd State Architect-build University,Russia)
Part XI. Quantum-chemical calculation of isoolefins by method AB INITIO
21. Geometrical and electronic structure of molecule 2-methylbutene-2 by method AB INITIO;pp.117-119
(V.A. Babkin, D.S. Andreev,Volgograd State Architect-build University,Russia)
22. Geometrical and electronic structure of molecule 2-methylpentene-1 by method AB INITIO;pp. 121-123
(V.A. Babkin, D.S. Andreev,Volgograd State Architect-build University, Russia)
Part XII. Quantum-chemical calculation of isoolefins by method MNDO
23. Geometrical and electronic structure of molecule 2-methylbutene-2 by method MNDO;pp. 127-129
(V.A. Babkin, D.S. Andreev, Volgograd State Architect-build University,Russia)
24. Geometrical and electronic structure of molecule 2-methylpentene-1 by method MNDO;pp. 131-133
(V.A. Babkin, D.S. Andreev, Volgograd State Architect-build University, Russia)
Part XIII. Quantum-chemical calculation of dienes and trienes by method AB INITIO
25. Geometrical and electronic structure of molecule trans,trans-hexadiene-2,4 by method AB INITIO;pp. 137-139
(V.A. Babkin, D.S. Andreev, Volgograd State Architect-build University,Russia)
26. Geometrical and electronic structure of molecule cis,trans-hexadiene-2,4 by method AB INITIO;pp. 141-143
(V.A. Babkin, D.S. Andreev,Volgograd state Architect-build University,Russia)
27. Geometrical and electronic structure of molecule cis,cis- hexadiene-2,4 by method AB INITIO;pp. 145-147
(V.A. Babkin, D.S. Andreev,Volgograd State Architect-build University,Russia)
28. Geometrical and electronic structure of molecule trans-2-methylpentadiene-1,3 by method AB INITIO;pp. 149-151
(V.A. Babkin, D.S. Andreev,Volgograd State Architect-build University, Russia)
Part XIV. Quantum-chemical calculation of dienes and trienes by method MNDO
29. Geometrical and electronic structure of molecule trans,trans-hexadiene-2,4 by method MNDO;pp. 155-157
(V.A. Babkin, D.S. Andreev,Volgograd State Architect-build University, Russia)
30. Geometrical and electronic structure of molecule cis,trans-hexadiene-2,4 by method MNDO;pp. 159-161
(V.A. Babkin, D.S. Andreev,)
31. Geometrical and electronic structure of molecule cis,cis-hexadiene-2,4 by method MNDO;pp. 163-165
(V.A. Babkin, D.S. Andreev, Volgograd State Architect-build University,Russia)
32. Geometrical and electronic structure of molecule trans-2-methylpentadiene-1,3 by method MNDO;pp.167-169
(V.A. Babkin, D.S. Andreev, Volgorad State Architect-build University,Russia)
33. Geometrical and electronic structure of molecule trans-3-methylpentadien-1,3 by method MNDO;pp. 171-173
(V.A. Babkin, D.S. Andreev, Volograd State Architect-build University, Russia)
Part XV. Styrene and its derivations
34. Geometrical and electronic structure of molecule some styrenes by method MNDO;pp. 177-182
(V.A. Babkin, K.S. Medvedeva, Volgograd State Architect-build, Russia)
35. Geometrical and electronic structure of molecule m-nitrostyrene by method AB INITIO;pp. 183-185
(V.A. Babkin, D.S. Andreev, Volgograd State Architect University,Russia)
36. Geometrical and electronic structure of molecule trans-β-propylstyrene by method MNDO;pp. 187-189
(V.A. Babkin, D.S. Andreev,Vologograd State Architect University,Russia)
37. Geometrical and electronic structure of molecule cis-p-metoxi-β-methylstyrene by method MNDO;pp. 191-193
(V.A. Babkin, D.S. Andreev,Volgograd State Architect-build University,Russia)
Part XVI. Indene and its его derivations
38. Geometrical and electronic structure of molecule brompropilinden by method MNDO;pp. 197-199
(V.A. Babkin, I.N. Kozlov,Volgograd State Architect-build University,Russia)
39. Geometrical and electronic structure of molecule brominden by method MNDO;pp. 201-203
(V.A. Babkin, I.N. Kozlov.Volgograd State Architect-build University,Russia)
Part XVII. Bicyclic olefins
40. Geometrical and electronic structure of molecule 2-isopropenilbicyclo[2,2,1]heptene-5 by method AB INITIO;pp. 207-210
(V.A. Babkin, D.S. Andreev.Volgograd State Architect-build University,Russia)
41. Geometrical and electronic structure of molecule 2-vinylbicyclo[2,2,1]heptene-2 by method AB INITIO;pp. 211-214
(V.A. Babkin, D.S. Andreev, Volgograd State Architect-build University, Russia)
42. Geometrical and electronic structure of molecule bicyclo[2,2,1]heptdiene-2,5 by method AB INITIO;pp. 215-218
(V.A. Babkin, D.S. Andreev,Volgograd State Architect-build University,Russia)
43. Geometrical and electronic structure of molecule 2-methylenebicyclo[2,2,1]heptene-5 by method AB INITIO;pp. 219-222
(V.A. Babkin, D.S. Andreev, Volgograd State Architect-build University,Russia)
Part XVIII. Compound with small cycles
44. Geometrical and electronic structure of molecule isopropylcyclopropane by method AB INITIO;pp. 225-228
(V.A. Babkin, D.S. Andreev, E.S. Titova,Volgograd State Architect-build University,Russia and others)
45. Geometrical and electronic structure of molecule p-propylcyclopropan by method AB INITIO;pp. 229-232
(V.A. Babkin, D.S. Andreev, E.S. Titova,Volgograd State Architect build University,Russia and others)
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