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
Central Asia: Perspectives and Present Challenges
$144.00
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 4
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 4
Retail Price: $210.00
10% Online Discount
You Pay:

$189.00
Editors: G.E. Zaikov and V.A. Babkin (Russian Academy of Sciences, Moscow, Russia)
Book Description:
This book 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 effect 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. Geometrical and electronic structure of molecule limonen by method AB INITIO;pp. 3-5
(V.A. Babkin, А.V. Tsykano,Volgograd State Architect-Build University
Sebrykov Dept. Volgograd Region, Russia)

2. Geometrical and electronic structure of molecule α-glucose by method AB INITIO;pp. 7-9
(V.A. Babkin, V.Yu. Dmitriev, E.S. Titova, G.E. Zaikov, Volgograd State Architect-Build University Sebrykov Dept. Volgograd Region, Russia)

3. Geometrical and electronic structure of molecule purine by method MNDO;pp.11-13
(V.A. Babkin, D.S. Andreev,Volgograd State Architect-Build University, Russia)

Part II. Quantum-chemical calculation of cellulose

4. Geometrical and electronic structure of molecule trinitrocellulose by method MNDO;pp. 17-21
(V.A. Babkin, А.В. Tsykanov, Volgograd State Architect-build University Sebrykov Dept. Russia)

Part III. Quantum-chemical calculation of medical products

5. v. Geometrical and electronic structure of molecule 5-atsetylo
Dmitrieximethyl-5-methyl-2-chlorine-1,3,2-dioxiforinam by method MNDO;pp. 25-27
(V.A. Babkin, V. Yu)

6. Geometrical and electronic structure of molecule cholesterol by method MNDO;pp. 29-33
(V.A. Babkin, V.Yu. Dmitriev)

Part IV. Quantum-chemical calculation of jet engine fuels

7. Geometrical and electronic structure of molecule ethyle alcohol by method AB INITIO;pp. 37-39
(V.A. Babkin, V.Yu. Dmitriev, G.E. Zaikov)

Part V. Quantum-chemical calculation in biochemistry

8. Geometrical and electronic structure of molecule thymine by method AB INITIO;pp.43-46
(V.A. Babkin, V.Yu. Dmitriev, E.S. Titova., G.E. Zaikov)

9. Geometrical and electronic structure of molecule cytosine by method AB INITIO;pp. 47-50
(V.A. Babkin, V.Yu. Dmitriev, E.S. Titova., G.E. Zaikov)

Part VI. Quantum-chemical calculation of olefins of cationic polymerization

10. Geometrical and electronic structure of molecule pentene-1 by method AB INITIO;pp. 53-56
(V.A. Babkin, V.Yu. Dmitriev, G.E. Zaikov)

11. Geometrical and electronic structure of molecule propene by method AB INITIO;pp. 57-59
(V.A. Babkin, V.Yu. Dmitriev, G.E. Zaikov)

12. Geometrical and electronic structure of molecule ethylene by method AB INITIO;pp. 61-63
(V.A. Babkin, V.Yu. Dmitriev, G.E. Zaikov)

Part VII. Quantum-chemical calculation of linear olefins by method MNDO

13. Geometrical and electronic structure of molecule pentene-1 by method MNDO;pp. 67-69
(V.A. Babkin, V.Yu. Dmitriev, G.E. Zaikov)

14. Geometrical and electronic structure of molecule propene by method MNDO;pp. 71-73
(V.A. Babkin, V.Yu. Dmitriev, G.E. Zaikov)

15. Geometrical and electronic structure of molecule ethylene by method MNDO;pp. 75-77
(V.A. Babkin, V.Yu. Dmitriev, G.E. Zaikov)

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-ethylepentene-1 by method AB INITIO;pp. 81-83
(V. A. Babkin, V. V. Galenkin)

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-ethylepentene-1 by method MNDO;pp. 87-89
(V. A. Babkin, V. V. Galenkin)

Part X. Quantum-chemical calculation of linear monomers, branched out in γ-, δ , ε-position in relation to double bond by MNDO

18. Geometrical and electronic structure of molecule 5-methylhexene-1 by method MNDO;pp. 93-95
(V.A. Babkin, D.S. Andreev)

19. Geometrical and electronic structure of molecule 5-methylheptene-1 by method MNDO;pp. 97-99
(V.A. Babkin, D.S. Andreev)

20. Geometrical and electronic structure of molecule 6-methylheptene-1 by method MNDO;pp. 101-103
(V.A. Babkin, D.S. Andreev)

Part XI. Quantum-chemical calculation of isoolefins by method AB INITIO

21. Geometrical and electronic structure of molecule 2,3,3- trimethylbutene-1 by method AB INITIO;pp. 107-110
(V.A. Babkin, D.S. Andreev)

22. Geometrical and electronic structure of molecule 2,4,4-trimethylbutene-1 by method AB INITIO;pp. 111-114
(V.A. Babkin, D.S. Andreev)

23. Geometrical and electronic structure of molecule 2,5-dimethylheksadien-1,5 by method AB INITIO;pp. 115-118
(V.A. Babkin, D.S. Andreev)

Part XII. Quantum-chemical calculation of isoolefins by method MNDO

24. Geometrical and electronic structure of molecule 2,3,3-trimethylbutene-1 by method MNDO;pp. 121-123
(V.A. Babkin, D.S. Andreev)

25. Geometrical and electronic structure of molecule 2,4,4-trimethylbutene-1 by method MNDO;pp. 125-127
(V.A. Babkin, D.S. Andreev)

26. Geometrical and electronic structure of molecule 2,5-dimethylheksadien-1,5 by method MNDO;pp. 129-131
(V.A. Babkin, D.S. Andreev)

Part XIII. Quantum-chemical calculation of dienes and trienes by method AB INITIO

27. Geometrical and electronic structure of molecule;pp. 135-138 2-phenylbutadiene-1,3 by method AB INITIO
(V.A. Babkin, D.S. Andreev)

28. Geometrical and electronic structure of molecule 1-phenyl-4-methylbutadiene-1,3 by method AB INITIO;pp. 139-142
(V.A. Babkin, D.S. Andreev)

29. Geometrical and electronic structure of molecule chloroprene by method AB INITIO;pp. 143-145
(V.A. Babkin, D.S. Andreev)

30. Geometrical and electronic structure of molecule trans-hexatriene-1,3,5 by method AB INITIO;pp. 147-150
(V.A. Babkin, D.S. Andreev)

31. Geometrical and electronic structure of molecule allocymen by method AB INITIO;pp. 151-154
(V.A. Babkin, D.S. Andreev)

Part XIV. Quantum-chemical calculation of dienes and trienes by method MNDO

32. Geometrical and electronic structure of molecule 1-phenyl-4-methylbutadiene-1,3 by method MNDO;pp. 157-159
(V.A. Babkin, D.S. Andreev)

33. Geometrical and electronic structure of molecule chloroprene by method MNDO;pp. 161-163
(V.A. Babkin, D.S. Andreev)

34. Geometrical and electronic structure of molecule transhexatriene-1,3,5 by method MNDO;pp. 165-167
(V.A. Babkin, D.S. Andreev)

35. Geometrical and electronic structure of molecule allocymen by method MNDO;pp. 169-171
(V.A. Babkin, D.S. Andreev)

Part XV. Alicyclic olefins

36. Geometrical and electronic structure of molecule some alicyclic olefins. Part 1;pp. 175-187
(V.A. Babkin, A.A. Pritanskov)

37. Geometrical and electronic structure of molecule some alicyclic olefins. Part 2;pp. 189-201
(V.A. Babkin, A.A. Pritanskov)

Part XVI. Styrene and its derivations

38. Geometrical and electronic structure of molecule 1,2,6,3-methyl-4-tretbutilstyrene by method MNDO;pp. 205-208
(V.A. Babkin, A.V. Bokov)

39. Geometrical and electronic structure of molecule;pp. 209-211 n-diisopropinylbenzol by method MNDO
(V.A. Babkin, A.V. Bokov)

40. Geometrical and electronic structure of molecule -methyl-p-methoxystyrene by method MNDO;pp. 213-215
(V.A. Babkin, A.V. Bokov)

41. Geometrical and electronic structure of molecule -methyl-p-methylstyrene by method MNDO;pp. 217-219
(V.A. Babkin, A.V. Bokov)

Part XVII. Indene and its его derivations

42. Geometrical and electronic structure of molecule 3,3-diindenyl by method MNDO;pp. 223-226
(V.A. Babkin, I.N. Kozlov)

43. Geometrical and electronic structure of molecule 1,1-diindenyl by method MNDO;pp. 227-229
(V.A. Babkin, I.N. Kozlov)

Part XVIII. Bicyclic olefins

44. Geometrical and electronic structure of molecule 5-methylbicyclo[2,2,1]heptene-2 by method AB INITIO;pp. 233-236
V.A. Babkin, D.S. Andreev.

45. Geometrical and electronic structure of molecule bicyclo[2,2,1]heptene-2 by method AB INITIO;pp. 237-240
(V.A. Babkin, D.S. Andreev)

46. Geometrical and electronic structure of molecule β-pinen by method AB INITIO;pp. 241-244
(V.A. Babkin, D.S. Andreev)

47. Geometrical and electronic structure of molecule 5-methylbicyclo[2,2,2]octene-2 by method AB INITIO;pp. 245-248
(V.A. Babkin, D.S. Andreev)

48. Geometrical and electronic structure of molecule di-endo-methylenehexahydronaphthalene by method AB INITIO;pp. 249-252
(V.A. Babkin, D.S. Andreev)

Part XIX. Compound with small cycles

49. Geometrical and electronic structure of molecule 1-methylbicyclo[10,1,0]tridekane by method MNDO;pp. 255-258
(V.A. Babkin, D.S. Andreev, E.S. Titova)

50. Geometrical and electronic structure of molecule bicyclo[10,1,0]tridekane by method MNDO;pp. 259-262
(V.A. Babkin, D.S. Andreev, E.S. Titova)

51. Geometrical and electronic structure of molecule 2,11-spirotetradekane by method MNDO;pp. 263-266
(V.A. Babkin, D.S. Andreev, E.S. Titova)

Part XX. Nanotechnologes of applied quantum chemistry

52. Algorithmes of nanotechnologes quantum chemistry;pp. 269-273
(V.A. Babkin)

Index

   Series:
      Nanotechnology Science and Technology
      Chemistry Research and Applications
   Binding: Hardcover
   Pub. Date: 2012
   Pages: 7 x 10 (NBC - C) 279pp.
   ISBN: 978-1-61324-284-1
   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 - 2021

Quantum-Chemical Calculations of Molecular Systems as the Basis of Nanotechnologies in Applied Quantum Chemistry. Volume 4