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Quantum-Chemical Calculations of Molecular Systems as the Basis of Nanotechnologies in Applied Quantum Chemistry. Volume 7
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Editors: G.E. Zaikov (N.M. Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow, Russia) V.A. Babkin (Volgograd State Architect-Build University, Michailovka, Volgograd region; Russia)
Book Description:
This book is one of many volumes which presents current research in the study of quantum-chemical calculations of various molecular systems. The research results presented suggest that the development of nanotechnologies will offer new and more effective advancements for the improvement of penicillins, vitamins and catalysts. The results of quantum-chemical calculations of various molecular systems presented here are the first step toward the development of new nanotechnologies. (Imprint: Nova)

Table of Contents:
Part I.Quantum-chemical calculation of chemical compounds, synthesized by laureates of Nobel Prize

1. Research of Geometrical and electronic structure of the molecule of cyclohexane by method MNDO;pp. 3-7
(V.A.Babkin, D.S.Andreev, Volgograd State Architect-Build University Sebrykov Dept.,Michailova,Russia)

2. Research of Geometrical and electronic structure of the molecule of ammonia by method MNDO;pp. 9-13
(V.A.Babkin, D.S.Andreev, Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

3. Research of Geometrical and electronic structure of the molecule of purine by method MND;pp. 15-19
(V.A.Babkin, D.S.Andreev,VolgoGrad State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

4. Geometrical and electronic structure of the molecule of benzylpenicillin by method MNDO;pp. 21-26
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

II. Quantum chemical calculation of liquid crystal

5. Research ofGeometrical and electronic structure of molecule of cholesteric liquid crystal amyl-para-(4cyanobenzylidenamino)-cinnamat by method MNDO;pp. 29-34
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-
Build University Sebrykov Dept.,Michailovka,Russia)

6. Research of Geometrical and electronic structure of molecule of cholesteric liquid crystal amyl-para-(4cyanobenzylidenamino)-cinnamat by method ab initio;pp. 35-41
(V.A.Babkin, D.S.Andreev, Volgograd State Technical University,Russia and others

III.Quantum chemical calculation of medical products

7. Estimation of acid force of components of synthesis 1-[2-(O-acetylmethyl)-3-O-acetyl-2- ethyl]- methyldichlorinephosphite;pp. 45-53
(V.A..Babkin, V.Yu.Dmitriev, G.A.Savin, G.E.Zaikov,Volgograd State Pedagogical University and others)

IV.Quantum chemical calculation of mineral oils

8. About the geometrical and electronic structure molecule gopane;pp. 57-63
(V.A.Babkin, R.G.Fedunov, A.A.Ostrouxov,Volgograd State Architect-build University,Sebrykov Dept.Michailovka,Russia and others)

9. About the geometrical and electronic structure molecule diagopane;pp. 65-70
(V.A.Babkin, R.G.Fedunov, A.A.Ostrouxov,Volgograd State University,Russia and others)

V.Quantum-chemical calculations in biochemistry

10. Research of Geometrical and electronic structure of 0 - Allyl ethers;pp. 73-77
(V.A.Babkin, A.V.Tsykanov, O.P.Buzinova,Volgograd State Pedagogical University,Russia and others)

VI. Quantum chemical calculation of branchy olefins

11. Research of Geometrical and electronic structure of molecules of monomers of cationic polymerization, branched out in -, -, -position in relation to double bond by method AB INITIO;pp. 81-88
(V. A.Babkin, D. S.Andreev,Volgograd State Architect University Sebrykov Dept.,Michailovka,Russia)

12. Research of Geometrical and electronic structure of molecules of monomers of cationic polymerization, branched out in -, -, -position in relation to double bond by method MNDO;pp. 89-96
(V. A.Babkin, D. S.Andreev,Volgograd State Architect-Build University Sebrykov Dept. Michailovka,Russia))

13. Quantum-chemical studying of the mechanism of protonation of alicyclic olefin cationic polymerization 3- methylmethylenecyclohexane;pp. 97-100
(V.A.Babkin, V.Yu.Dmitriev, G.E.Zaikov.Institute of Biochemical Physcis Russian Academy of Sciences,Moscow)

14. Estimation of acid force of isoolefins;pp. 101-105
(V.A.Babkin, D.A.Frolov, Yu. A.Sangalov, G.E.Zaikov,Institute of Biochemical Physics Russian Academy of Sciences,Moscow))

VII. Quantum-chemical calculation of alicyclic olefins of cation polymerization, diolefins and them derivations

15. Geometrical and electronic structure of molecule
allylcyclohexane by method AB INITIO;p. 109-114
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University of Sebrykov Dept.,Michailovka,Russia)

16. Research of Geometrical and electronic structure of molecule
vinylcyclohexane by method AB INITIO;pp. 115-120
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

17. Research of Geometrical and electronic structure of molecule
4-methylmethylenecyclohexane by method AB INITIO;pp. 121-125
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

18. Research of Geometrical and electronic structure of molecule
methylenecyclopentane by method AB INITIO;pp. 127-131
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

19. Research of Geometrical and electronic structure of molecule
1-methylcyclopentene by method AB INITIO;pp. 133-137
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

20.Research of Geometrical and electronic structure of molecule
3-methylcyclopentene by method AB INITIO;pp. 139-143
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

21. Research of Geometrical and electronic structure of molecule
cyclopentene by method AB INITIO;[pp. 145-149
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.Michailovka,Russia)

22. Research of Geometrical and electronic structure of molecule;pp. 151-155
methylenecyclobutane by method AB INITIO
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

23. Research of Geometrical and electronic structure of molecule
1,2-dicyclopropylethylene by method AB INITIO;pp. 157-161
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka.Russia)

24. Research of Geometrical and electronic structure of molecule
isopropenylcyclopropane be method AB INITIO;pp. 163-167
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build Sebrykov Dept.,Michailovka,Russia)

25. Research ofGeometrical and electronic structure of molecule
vinylcyclopropane by method AB INITIO;pp. 169-173
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

26. Research of Geometrical and electronic structure of molecule
methylenecyclopropane by method AB INITIO;pp. 175-179
(V.A.Babkin, D.S.Andreev,Volgograd state Architect-Build University Sebrykov Dept.,Michailovka,Russia)

VIII. Cyclic conjugate dienes

27. Research ofGeometrical and electronic structure of molecule
1-methyl-1,3-cyclopentadiene by method MNDO;pp. 183-187
(V.A.Babkin, N.A.Azaryan,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

28. Research of Geometrical and electronic structure of molecule
1,3-cyclopentadiene by method MNDO;pp. 189-193
(V.A.Babkin, N.A.Azaryan,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

29. Research of Geometrical and electronic structure of molecule
1-methyl-3-methylenecyclobutene by method MNDO;pp. 195-199
(V.A.Babkin, N.A.Azaryan,Volgograd State Architect-Build University Sebrykov Dept.Michailovka,Russia)

30. Research of Geometrical and electronic structure of molecule
3-methylenecyclobutene by method MNDO;pp. 201-205
(V.A.Babkin, N.A.Azaryan,Volgograd State Architect-Build University,Sebrykov Dept.,Michailovka,Russia)

31. Research of Geometrical and electronic structure of molecule
1-methyl-1,3-cyclopenadiene by method AB INITIO;pp. 207-211
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov,Michailovka,Russia)

32. Research of Geometrical and electronic structure of molecule
1,3-cyclopenadiene by method AB INITIO;pp. 213-217
(V.A.Babkin, D.S.Andreev,Volgograd State ArchitectBuild University Sebrykov Dept.,Michailovka,Russia)

33. Research of Geometrical and electronic structure of molecule
1-methyl-3-methylene-1,3-cyclobutene by method AB INITIO;pp. 219-223
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

IX. Compound with small cyclies

34. Geometrical and electronic structure of molecule
1-methylbicyclo [6, 1, 0]octane by method MNDO;pp. 227-231
(V.A.Babkin, S.M.Shamin,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia )

35. Geometrical and electronic structure of molecule
3-methylbicyclo[4, 1, 0]heptane by method MNDO;pp. 233-237
(V.A.Babkin, S.M.Shamin,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

36. Research ofGeometrical and electronic structure of molecule
2-methylbicyclo[4,1,0]heptane by method MNDO;pp. 239-243
(V.A.Babkin, S.M.Shamin,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

37. Geometrical and electronic structure of molecule
1-methylbicyclo[4,1,0]heptane by method MNDO;pp. 245-249
(V.A.Babkin, S.M.Shamin,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

38. Research of Geometrical and electronic structure of molecule
2-phenyl-1,1-dichlorinecyclopropane by method AB INITIO;pp. 251-255
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University,Sebrykov Dept.,Michailovka,Russia)

39. Research of Geometrical and Electronic Structure of Molecule isopropylcyclobutane by method AB INITIO;pp. 257-261
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

40. Research of Geometrical and electronic structure of molecule
ethylcyclobutane by method AB INITIO;pp. 263-267
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

41. Research of Geometrical and electronic structure of molecule
methylcyclobutane by method AB INITIO;pp. 269-273
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

42. Research of Geometrical and electronic structure of molecule bicyclo[6,1,0]nonene-4 by method AB INITIO;pp. 275-279
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

43. Research of Geometrical and electronic structure of molecule
1-methyl-7.7-dichlorobicyclo[4,1,0]heptane by method AB INITIO;pp. 281-286
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

44. Research of Geometrical and electronic structure of molecule
1-methyl-6,6-dichlorobicyclo[3,1,0]hexane by method AB INITIO;pp. 287-291
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

45. Research of Geometrical and electronic structure of molecule
9,9-dichlorobicyclo[5,1,0]nonane by method AB INITIO;pp. 293-298
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)


X. Styrene and its derivations

46. Research of Geometrical and electronic structure of molecule
p-fluorostyrene by method MNDO;pp. 301-305
(V.A.Babkin,K.S.Medvedeva,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

47. Research of Geometrical and electronic structure of molecule
2,6-dimethyl-4-tert-butylstyrene by method MNDO;pp. 307-311
(V.A.Babkin, K.S.Medvedeva,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

48. Research of Geometrical and electronic structure of molecule
vinylmesitylene by method MNDO;pp. 313-317
(V.A.Babkin, K.S.Medvedeva,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

49. Research of Geometrical and electronic structure of molecule
2-isopropyl-5-methylstyrene by method MNDO;pp. 319-323
(V.A.Babkin, K.S.Medvedeva)

50. Research of Geometrical and electronic structure of molecule
p-bromostyrene by method MNDO;pp. 325-329
(V.A.Babkin, K.S.Medvedeva,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

51. Research ofGeometrical and electronic structure of
molecule cis-a,B-dimethylstyrene by method MNDO;pp. 331-335
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

52. Research of Geometrical and electronic structure of
molecule trans-a,B-dimethylstyrene by method MNDO;pp. 337-341
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

53. Research of Geometrical and electronic structure of molecule
2,5-dimethoxystyrene by method AB INITIO;pp. 343-347
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

54. Research of Geometrical and electronic structure of molecule
M-methoxystyrene by method AB INITIO;pp. 349-353
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

55. Research of Geometrical and electronic structure of molecule
O-methoxystyrene by method AB INITIO;pp. 355-359
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

56. Research of Geometrical and electronic structure of molecule
p-methoxystyrene by method AB INITIO;pp. 361-365
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

57. Quantum Chemical Calculation of molecule M-oxystyrene by method AB INITIO;pp. 367-371
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

58. Research of Geometrical and electronic structure of molecule
o-oxystyrene by method AB INITIO;pp. 373-377
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

59. Research of Geometrical and electronic structure of molecule
P - OXYSTYRENE BY method AB INITIO;PP. 379-383
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

60. Research of Geometrical and electronic structure of molecule
p-cyanostyrene by method AB INITIO;pp. 385-389
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University,Sebryyyyykov Dept.,Michailovka,Russia)

61. Research of Geometrical and electronic structure of molecule
2,5-dichlorstyrene by method AB INITIO;pp. 391-395
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University SEbrykov Dept.,Michailkova,Russia)

XI. Indene and its derivations

62. Research of Geometrical and electronic structure of molecule
3,4,5,6,7-pentamethylindene by method MNDO;pp. 399-404
(V.A.Babkin, K.N.Sadukov,Volgograd Architect-Build University Sebrykov Dept.,Michailovka,Russia)

63. Research of Geometrical and electronic structure of molecule
4,5,6,7-tetramethylindene by method MNDO;pp. 405-409
(V.A.Babkin, K.N.Sadukov,Volgograd State Architect-Build Sebrykov Dept.,Michailovka,Russia)

64. Research of Geometrical and electronic structure of molecule
4,6,7-trimethylindene by method MNDO;pp. 411-415
(V.A.Babkin, K.N.Sadukov,Volgograd State architect-Build University Sebrykov Dept.,Michailovka,Russia)

65. Research of Geometrical and electronic structure of molecule
6,7-dimethylindene by method MNDO;pp. 417-421
(V.A.Babkin, K.N.Sadukov,Volgograd State Architect-Build University Sebrykov Region,Russia)

66.Research of Geometrical and electronic structure of molecule
5,7-dimethylindene by method MNDO;pp. 423-427
(V.A.Babkin, K.N.Sadukov,Volgograd State Architect-Build University Sebrykov Dept.,Russia)

67. Research of Geometrical and electronic structure of molecule
5,6-dimethylindene by method MNDO;pp. 429-433
(V.A.Babkin, K.N.Sadukov,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

68. Research of Geometrical and electronic structure of molecule
4,6-dimethylindene by method MNDO;pp. 435-439
(V.A.Babkin, K.N.Sadukov,Volgograd State Architect-Build University Dept.,Michailovk,Russia)

69. Research of Geometrical and electronic structure of molecule
2-methylindene by method AB INITIO;pp. 441-445
(V.A.Babkin, D.S.Andreev.Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

70. Research Geometrical and electronic structure of molecule
1-methylindene by method AB INITIO;pp. 447-451
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailkova Russia)

71. Research of Geometrical and electronic structure of molecule
indene by method AB INITIO;pp. 453-457
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

72. Research of Geometrical and electronic structure of molecule
1-indenylindene by method AB INITIO;pp. 459-464
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

XII. Aromatic olefins

73. Research of Geometrical and electronic structure of molecule
9-vinylanthracene by method MNDO;pp. 67-471
(V.A.Babkin, I.A.Akimov,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

74. Research of Geometrical and electronic structure of molecule
5-methylacenaphthylene by method MNDO;pp. 473-477
(V.A.Babkin, I.A.Akimov,Volgorad State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

75. Research of Geometrical and electronic structure of molecule
3-methylacenaphthylene by method MNDO;pp. 479-483
(V.A.Babkin, I.A.Akimov,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia

76. Research of Geometrical and electronic structure of molecule
1-methylacenaphthylene by method MNDO;pp. 485-489
(V.A.Babkin, I.A.Akimov,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

77. Research of Geometrical and electronic structure of molecule
acenaphthylene by method MNDO;pp. 491-495
(V.A.Babkin, I.A.Akimov,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

78. Research of Geometrical and electronic structure of molecule
1-vinylpyrene by method MNDO;pp. 497-502
(V.A.Babkin, I.A.Akimov,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

XIII. Nanotechnologes of applied quantum chemistry

79. Classic Nanotechnologes of applied quantum chemistry;pp. 505-510
(V.A.Babkin,G.E.Zaikov,Institute of Biochemical Physics Russian Academy of Sciences,Moscow and others)

80. Nanotechnologes of Applied quantum chemistry of homogeneous and heterogeneous molecular systems;pp. 511-512
(V.A.Babkin,S.P. Belousov,G.E.Zaikov,Institute of Biochemical Physics Russian Academy of Science,Moscow and others)

81. The General Algorithm of Nanotechnology;pp. 513-514
(V.A.Babkin,S.P.Belousov,G.E.Zaikov,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka)

Conclusion;pp. 515-516

About the Editors;pp. 517-518

Index

   Series:
      Nanotechnology Science and Technology
      Chemistry Research and Applications
   Binding: Hardcover
   Pub. Date: 2012- November
   Pages: 7 x 10 (NBC - C) 521pp.
   ISBN: 978-1-61470-891-9
   Status: AV
  
Status Code Description
AN Announcing
FM Formatting
PP Page Proofs
FP Final Production
EP Editorial Production
PR At Prepress
AP At Press
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Quantum-Chemical Calculations of Molecular Systems as the Basis of Nanotechnologies in Applied Quantum Chemistry. Volume 7