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1.4 DataView...........................................................................................10
1.5. Modify..............................................................................................12
1.6. MD....................................................................................................13
1.7 KVAZAR...........................................................................................17
1.8 Info.....................................................................................................18
1.9 Auto...................................................................................................19
1.10 DOS.................................................................................................21
1.11 Hami................................................................................................24
1.12 OpSimm...........................................................................................25
1.13 Object...............................................................................................25
1.14 PAngle.............................................................................................25
1.15 NT....................................................................................................25
2. ..........................................................................................28
1....................................................................................28
2....................................................................................36
3....................................................................................44
4....................................................................................48

Copyright & A K-C

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Copyright & A K-C

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Copyright & A K-C

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Copyright & A K-C

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Copyright & A K-C

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Copyright & A K-C

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Copyright & A K-C

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Copyright & A K-C

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Copyright & A K-C

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Copyright & A K-C

. 21.
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30

Copyright & A K-C

aParams[13] = 0 - ddZ 6
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Copyright & A K-C

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32

Copyright & A K-C

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Copyright & A K-C

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.
1. Olga E. Glukhova Classification of the Achiral Tubular Nanoclusters //
Carbon Nanotubes: Synthesis and Properties. Series: Nanotechnology
Science and Technology. Nova Science Publishers. 2012. pp. 319-336.

34

Copyright & A K-C

2. . ., . . //
. .. . .: , 2010. - 456 ISBN 978-59221-1120-1.
3. // .. . - .:
,2011.-488: . -()

35

Copyright & A K-C

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Copyright & A K-C

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Copyright & A K-C

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38

Copyright & A K-C

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Copyright & A K-C

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40

Copyright & A K-C

- :
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41

Copyright & A K-C

2. REBO 10-4 .
3. 1%.
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42

Copyright & A K-C

3. 5 .
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1. .., .., .., .,
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.// .
2003. .34. .2. .475-510.
2. .., ..
.// .
.2010. .2 1. . 5-24. ISSN 1999-513X
3. Tersoff J. Modeling solid-state chemistry: Interatomic potentials for
mnlticomponent systems. // Phys. Rev. B. 1989. V. 39. N.8. P. 5566-5568.
4. Brenner D.W. Empirical potential for hydrocarbons for use in simulating the
chemical vapor deposition of diamond films.//Phys. Rev. B. 1990. V. 42.
N.15. P.9458-9471.

43

Copyright & A K-C

5. Benkabou F., Becker P., Certier M., Aourag H. Structural and dynamical
properties of zincblende GaN. //Phys. Stat. Sol. 1998. V. 209. P. 223-233.
3
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Copyright & A K-C

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Copyright & A K-C

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46

Copyright & A K-C

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47

Copyright & A K-C

1. .. , .. , ..

. 2011 . : 335 .
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Copyright & A K-C

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51

Copyright & A K-C

1. . .
:
- : 05.27.01:
. . . . ; "
. . . ". - : 2013. - 142 .
2. Olga . Glukhova, Michael M. Slepchenkov Influence of the curvature of
deformed graphene nanoribbons on their electronic and adsorptive properties:
theoretical investigation based on the analysis of the local stress field for an
atomic

grid

//

Nanoscale

2012.

Issue

11.

Pages

3335-3344.

DOI:10.1039/C2NR30477E.
3.

..

..

// -
. 2011. 7. . 2-4.

52