Nova Publishers
My Account Nova Publishers Shopping Cart
HomeBooksSeriesJournalsReference CollectionseBooksInformationSalesImprintsFor Authors
            
  Top » Catalog » Books » My Account  |  Cart Contents  |  Checkout   
Quick Find
  
Use keywords to find the product you are looking for.
Advanced Search
What's New? more
Theory of Literature
$243.00
Shopping Cart more
0 items
Information
Shipping & Returns
Privacy Notice
Conditions of Use
Contact Us
Notifications more
NotificationsNotify me of updates to Quantum-Chemical Calculations of Molecular Systems as the Basis of Nanotechnologies in Applied Quantum Chemistry. Volume 5
Tell A Friend
 
Tell someone you know about this product.
Quantum-Chemical Calculations of Molecular Systems as the Basis of Nanotechnologies in Applied Quantum Chemistry. Volume 5
Retail Price: $195.00
10% Online Discount
You Pay:

$175.50
Editors: V.A. Babkin (State Architect-Build University, Sebrykov Department, Michailovka, Volgograd region; Russia) G.E. Zaikov (N.E. Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow, 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:
Preface

I.Quantum-chemical calculation of chemical compounds, synthesized by laureates of Nobel Prize

1.Geometrical and electronic structure of terpenes;pp. 3-16
(V.A.Babkin, А.В.Tsykanov, V.Yu.Dmitriev, E.S.Titova, G.E.Zaikov,Volograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia and others)

2. Geometrical and electronic structure of the molecule of insecticide DDT (dichlorodiphenyltrichloroethane) or 2, 2-BIS-(4-chlorophenyl)1,1,1-trichloroethane);pp. 17-21
(V.A.Babkin, V.Yu.Dmitriev, G.E.Zaikov,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia and others)

3. Geometrical and electronic structure of the molecule of
formaldehyde;pp. 23-27
(V.A.Babkin, D.S.Andreev, V.D.Shesterenkin, E.S.Titova,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia and others)

II.Quantum chemical calculation of liquid crystal

4. Research of geometrical and electronic structure of molecule nematic n-(para-methoxybenzylidene) –para- butylaniline by method MNDO;pp. 31-36
(V.A.Babkin,D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

5. Research of geometrical and electronic structure of molecule of smectic liquid crystal terephthalbis(para-butylaniline) by method MNDO;pp. 37-42
(V.A.Babkin, D.S.Andreev,Volgograd State Architect-Build University Sebrykov Dept., Russia)

III. Quantum chemical calculation of cellulose

6. Research of geometrical and electronic structure of molecules of mono-, di-, trinitrocellulose by method MNDO;pp. 45-56
(V.A.Babkin, А.В.Tsykanov, E.S.Titova,Volgograd State Architect-Build University Sebrykov Dept. Michailovka,Russia)

IV. Quantum chemical calculation of jet engine fuels

7. Research geometrical and electronic structure of different fuels by method AB INITIO;pp. 59-67
(V.A.Babkin, V.Yu.Dmitriev, E.S.Titova, G.E.Zaikov,Volgograd State Architect-Build University,Sebrykov Dept.,Michailovka,Russia and others)

V. Quantum-chemical calculations in biochemistry

8. Research of geometrical and electronic structure of heterocyclic nitrogen bases – «alphabet» of genetic code by method AB INITIO;pp. 71-80
(V.A.Babkin, V.Yu.Dmitriev, E.S.Titova, V.S.Belousova,G.E.Zaikov,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia and others)

VI. Quantum chemical calculation of branchy olefins

9. Research of geometrical and electronic structure of molecules of monomer of cationic polymerization, branched out in α-position in relation to double bond by method MNDO;pp. 83-91
(V.A.Babkin, V. V.Galenkin, E.S.Titova, Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia and others)

10. Research of Geometrical and Electronic Structure of molecules of monomer of cationic polymerization branched out in α-position in relation to double bond by method AB INITIO;pp. 93-101
(V.A.Babkin, V. V.Galenkin, E.S.Titova,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia and others)

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

11. Research of geometrical and electronic structure of molecule
vinylcyclopentane by method MNDO;pp. 105-109
(V.A.Babkin, А.А.Pristanskov,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

12. Research of geometrical and electronic structure of molecule
methylenecyclopentane by method MNDO;pp. 111-115
(V.A.Babkin, А.А.Pristanskov,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

13. Research of geometrical and electronic structure of molecule
1-methylcyclopentene by method MNDO;pp. 117-121
(V.A.Babkin, А.А.Pristanskov)

14. Research of geometrical and electronic structure molecule
3-methylcyclopentene by method MNDO;pp. 123-127
(V.A.Babkin, А.А.Pristanskov,Volgograd State Architect-Build University Sebrykov Dept.,Michailovka,Russia)

15. Research of geometrical and electronic structure of molecule
cyclopentene method MNDO;pp. 129-133
(V.A.Babkin, А.А.Pristanskov)

16. Research of geometrical and electronic structure of molecule
methylenecyclobutane method MNDO;pp. 135-139
(V.A.Babkin, А.А.Pristanskov)

17. Research of geometrical and electronic structure of molecule
1,1-dicyclopropylethylene by method MNDO;pp. 141-145
(V.A.Babkin, А.А.Pristanskov)

18. Research of geometrical and electronic structure molecule
isopropylcyclopropane by method MNDO;pp. 147-151
(V.A.Babkin, А.А.Pristanskov)

19. Research of geometrical and electronic structure molecule
vinylcyclopropane by method MNDO;pp. 153-157
(V.A.Babkin, А.А.Pristanskov)

20. Research of geometrical and electronic structure molecule
methylenecyclopropane by method MNDO;pp. 159-163
(V.A.Babkin, А.А.Pristanskov)

VIII. Cyclic conjugate dienes

21. Research of geometrical and electronic structure of molecule
5-methylallyl-1,3-cyclopentadiene by method MNDO;pp. 167-171
(V.A.Babkin, N.А.Azaryan)

22. Research of geometrical and electronic structure of molecule 5-allyl-1,3-cyclopentadiene by method MNDO;pp. 173-177
(V.A.Babkin, N.А.Azaryan)

23. Research of geometrical and electronic structure of molecule
1,2-dimethyl-1,3-cyclopentadiene by method MNDO;pp. 179-183
(V.A.Babkin, N.А.Azaryan)

24. Research of geometrical and electronic structure of molecule
6-methyl-6-ethylfulvene by method AB INITIO;pp. 185-189
(V.A.Babkin, D.S.Andreev)

25. Research of geometrical and electronic structure of molecule
6,6-dimethylfulvene by method AB INITIO;pp. 191-195
(V.A.Babkin, D.S.Andreev)

26. Research of geometrical and electronic structure of molecule
1,2-dimethyl-1,3-cyclopenadiene by method AB INITIO;pp. 197-201
(V.A.Babkin, D.S.Andreev)

IX. Compound with small cyclies

27. Research of geometrical and electronic structure of molecule 2,7-spirodecane by method MNDO;pp. 205-209
(V.A.Babkin, S.M.Shamin)

28. Research of geometrical and electronic structure of molecule
2,6-spironane by method MNDO;pp. 211-215
(V.A.Babkin, S.M.Shamin)

29. Research of geometrical and electronic structure of molecule
2,5-spirooctane by method MNDO;pp. 217-221
(V.A.Babkin, S.M.Shamin)

30. Research of geometrical and electronic structure of molecule
7,7-dichlorinebicyclo[4,1,0]heptane by method AB INITIO;pp. 223-227
(V.A.Babkin, D.S.Andreev)

31. Research of geometrical and electronic structure of molecule
1-methyl-1-vinyl-2,2-dichlorinecyclopropane by method AB INITIO;pp. 229-233
(V.A.Babkin, D.S.Andreev)

32. Research of geometrical and electronic structure of molecule
2-methyl-1,1-dichlorine-2-para-chlorophenylcyclopropane by method AB INITIO.;pp. 235-239
(V.A.Babkin, D.S.Andreev)

33. Research of geometrical and electronic structure of molecule
2-methyl-2-phenyl-1,1-dichlorinecyclopropane by method AB INITIO;pp. 241-245
(V.A.Babkin, D.S.Andreev)

34. Research of geometrical and electronic structure of molecule
2,2,3-trimethyl-1,1-dichlorinecyclopropane by method AB INITIO;pp. 247-251
(V.A.Babkin, D.S.Andreev)

35. Research of geometrical and electronic structure of molecule 2,2-dimethyl-1,1-dichlorinecyclopropane by method AB INITIO;pp. 253-257
(V.A.Babkin, D.S.Andreev)

36. Research of geometrical and electronic structure of molecule
2,7-spirodecane by method AB INITIO;pp. 259-264
(V.A.Babkin, D.S.Andreev)

X. Styrene and its derivations

37. Research of geometrical and electronic structure of molecule
2-methyl-5-isopropylstyrene by method MNDO;pp. 267-271
(V.A.Babkin, E.А.Kologrivko)

38. Research of geometrical and electronic structure of molecule
2,4-dimethylstyrene by method MNDO;pp. 273-277
(V.A.Babkin, E.А.Kologrivko)

39. Research of geometrical and electronic structure of molecule
о-isopropylstyrene by method MNDO;pp. 279-283
(V.A.Babkin, E.А.Kologrivko)

40. Research of geometrical and electronic structure molecule
o-methylstyrene by method MNDO;pp. 285-289
(V.A.Babkin, E.А.Kologrivko)

41. Research of geometrical and electronic structure of molecule
para-tert-butylstyrene by method MNDO;pp. 291-295
(V.A.Babkin, E.А.Kologrivko)

42. Research of geometrical and electronic structure of molecule
para-isopropylstyrene by method MNDO;pp. 297-301
(V.A.Babkin, E.А.Kologrivko)

43. Research of geometrical and electronic structure of molecule
para- ethylstyrene by method MNDO;pp. 303-307
(V.A.Babkin, E.А.Kologrivko)

44. Research of geometrical and electronic structure of molecule
p-isopropylstyrene by method AB INITIO;pp. 309-313
(V.A.Babkin, D.S.Andreev)

45. Research of geometrical and electronic structure of molecule
lstyrene by method AB INITIO;pp. 315-319
(V.A.Babkin, D.S.Andreev)

46. Research of geometrical and electronic structure of molecule
3,4-dichlorstyrene by method AB INITIO;pp. 321-325
(V.A.Babkin, D.S.Andreev)

47. Research of geometrical and electronic structure of molecule
м-chlorstyrene by method AB INITIO;pp. 327-331
(V.A.Babkin, D.S.Andreev)

48. Research of geometrical and electronic structure of molecule
о-chlorstyrene by method AB INITIO;pp. 333-337
(V.A.Babkin, D.S.Andreev)

49. Research of geometrical and electronic structure of molecule
p- fluorostyrene by method AB INITIO;pp. 339-343
(V.A. Babkin, D.S. Andreev)

50. Research of geometrical and electronic structure of molecule
2,6-dimethyl-4-tret-butylstyrene by method AB INITIO;pp. 345-350
(V.A.Babkin, D.S.Andreev)

51. Research of geometrical and electronic structure of molecule
vinylmesitylene by method AB INITIO;pp. 351-356
(V.A.Babkin, D.S.Andreev)

XI. Indene and its derivations

52. Research of geometrical and electronic structure of molecule
2,3-dimethylindene by method MNDO;pp. 359-363
(V.A.Babkin, D.М.Kolmak)

53. Research of geometrical and electronic structure of molecule
1,1-dimethylindene by method MNDO;pp. 365-369
(V.A.Babkin, D.М.Kolmak)

54. Research of geometrical and electronic structure of molecule
7-methylindene by method MNDO;pp. 371-375
(V.A.Babkin, D.М.Kolmak)

55. Research of geometrical and electronic structure of molecule
6-methylindene by method MNDO;pp. 377-381
(V.А. Babkin, D.М. Kolmak)

56. Research of geometrical and electronic structure of molecule
5-methylindene by method MNDO;pp. 383-387
(V.A.Babkin, D.М.Kolmak)

57. Research of geometrical and electronic structure of molecule
3-methylindene by method MNDO;pp. 389-393
(V.A.Babkin, D.М.Kolmak)

58. Research of geometrical and electronic structure of molecule
5,7-dimethylindene by method AB INITIO;pp. 395-399
(V.A.Babkin, D.S.Andreev)

59. Research of geometrical and electronic structure of molecule
5,6-dimethylindene by method AB INITIO;pp. 401-405
(V.A.Babkin, D.S.Andreev)

60. Research of geometrical and electronic structure of molecule
4,6-dimethylindene by method AB INITIO;pp. 407-411
(V.A.Babkin, D.S.Andreev)

61. Research of geometrical and electronic structure of molecule
1,1-dimethylindene by method AB INITIO;pp. 413-417
V.A.Babkin, D.S.Andreev

XII. Aromatic olefins

62. Research of geometrical and electronic structure of molecule
2,7-diphenyloctadiene-1,7 by method MNDO;pp. 421-426
(V.A.Babkin, A.V.Bokov)

63. Research of geometrical and electronic structure of molecule
2,6-diphenylheptadiene-1,6 by method MNDO;pp. 427-432
(V.A.Babkin, A.V.Bokov)

64. Research of geometrical and electronic structure of
molecule 2,5-diphenylhexadiene-1,5 by method MNDO;pp. 433-438
(V.A.Babkin, A.V.Bokov)

65. Research of geometrical and electronic structure of
molecule о-divinylbenzene by method MNDO;pp. 439-443
(V.A.Babkin, A.V.Bokov)

66. Research of geometrical and electronic structure of molecule
1,2-dihydronaphthalene by method MNDO;pp. 445-449
(V.A.Babkin, D.V.Jukov)

67. Research of geometrical and electronic structure of molecule
allylbenzol by method MNDO;pp. 451-455
(V.A.Babkin, D.V.Jukov)

Index

   Series:
      Nanotechnology Science and Technology
      Chemistry Research and Applications
   Binding: Hardcover
   Pub. Date: 2012-September
   Pages: 7 x 10 (NBC - C) 460pp.
   ISBN: 978-1-61470-882-7
   Status: AV
  
Status Code Description
AN Announcing
FM Formatting
PP Page Proofs
FP Final Production
EP Editorial Production
PR At Prepress
AP At Press
AV Available
  
Special Focus Titles
01.Violent Communication and Bullying in Early Childhood Education
02.Cultural Considerations in Intervention with Women and Children Exposed to Intimate Partner Violence
03.Chronic Disease and Disability: The Pediatric Lung
04.Fruit and Vegetable Consumption and Health: New Research
05.Fire and the Sword: Understanding the Impact and Challenge of Organized Islamism. Volume 2

Nova Science Publishers
© Copyright 2004 - 2020

Quantum-Chemical Calculations of Molecular Systems as the Basis of Nanotechnologies in Applied Quantum Chemistry. Volume 5