[1] A. Jorio, G. Dresselhaus, M. S.
DresselhausCarbon, "Nanotubes: Advanced Topics
in the Synthesis, Structure, Properties and
Applications," Springer, Berlin, 2008.
[2] R. C.Haddon, Special issue on Carbon
Nanotubes, Acc. Chem. Res., 35, 997-1113, 2002.
[3] C. N. R.Rao, B. C.Satishkumar, A. Govindaraj,
M. Nath, Chem. Phys. Chem., 2, 78–105, 2001.
[4] F. Kreupl, "Carbon Nanotubes in
Microelectronic Applications," Wiley- VCH:
Germany, 2008.
[5] F. Cataldo, T.Da Ros, "Medicinal Chemistry and
Pharmacological Potential of Fullerenes and Carbon
Nanotubes," Springer, Berlin, 2008.
[6] Z .Tian, Y .Shi, M .Yin, "Functionalized
Multiwalled Carbon. Nanotubes-anticancer Drug
Carriers: Synthesis, Targeting Ability and
Antitumor activity" Nano Biomed. Eng., 3, 157-
162, 2011.
[7] Z. Chen, H. Meng, G. Xing, C. Chen, Y. Zhao,
"Toxicological and Biological Effects
ofNanomaterials," Int. J. Nanotechnol., 4, 179–196,
2007.
[8] C. A.Dyke, J. M. Tour, J. Phys. Chem. A, 108,
11151–11159, 2004.
[9] Y.Lin, L. F.Allard, Y. P. Sun, J. Phys. Chem. B,
108, 12, 3760–3764, 2004.[10] A. Bianco, K.
Kostarelos, C. D.Partidos, M. Prato, Chem.
Commun., 5, 571–577, 2005.
[11] L. Lacerda, A. Bianco, M. Prato, K.Kostarelos,
J. Mater , "Carbon nanotube cell translocation and
delivery of nucleic acidsin vitro and in vivo".,
Chem., 18, 17–22, 2008.
[12] F. Lu, L. Gu, M. J. Meziani, X. Wang, P.
G.Luo, L. M. Veca, L. Cao, Y. P. Sun, Adv. Mater.,
21, 139–152, 2009.
[13] M. Shim, N.W.S. Kam, R.J. Chen, Y. Li, H.
Dai, "Functionalization of carbon nanotubes for
biocompatibility and biomolecular recognition,"
Nano Lett., 2, 285–288, 2002.
[14] B. I. Kharisov, O.V. Kharissova, H.L.
Gutierrez, U.O. Méndez , Ind. Eng. Chem. Res. ,48,
572–590, 2009.
[15] G. A. Petersson, M. A. Al-Laham, "A complete
basis set model chemistry. II. Open-shell systems
and the total energies of the first-row atoms," J.
Chem .Phys., 94, 6081-6090, 1991 .
[16] M. J. Frisch & et.al, Gaussian 09, Gaussian,
Inc., Pittsburgh PA, 2009.
[17] S. Ketabi, H.Hashemi Haeri, S.M.
Hashemianzadeh, "Solvation free energies of
glutamate and its metal complexes: a computer
simulation study," J. Mol. Model., 17, 889–898,
2011.
[18] W. L.Jorgensen, C.J.Swenson, "Optimized
intermolecular potential functions for amides and
peptides. Hydration of amide," J. Am. Chem. Soc.,
107, 1489–1496, 1985.
[19] W .L.Jorgensen, D.S. Maxwell, J.Tirado-Rives,
"Development and testing of the OPLS all-atom
force field on conformational energetics and
properties of organic liquids," J. Am. Chem. Soc.
118, 11225–11236, 1996.
[20] R. C.Rizzo, W.L.Jorgensen, "OPLS all-atom
model for amines: resolution of the amine hydration
problem," J. Am. Chem. Soc., 121, 4827–4836,
1999 .
[21] E. K.Watkins, W.L. Jorgensen,
"Perfluoroalkanes: conformational analysis and
liquid-state properties from ab initio and Monte
Carlo calculations," J. Phys. Chem. A, 105, 4118–
4125, 2001.
[22] W. L.Jorgensen, J.Chandrasekhar, J.D.Madura,
R.W.Impey, M.L.Klein, "Comparison of simple
potential functions for simulating liquid water," J.
Chem. Phys., 79, 926–935, 1983.
[23] W .L .Jorgensen, "Transferable intermolecular
potential functions for water, alcohols, and ethers.
Application to liquid water," J. Am. Chem. Soc.,
103, 335–340, 1981.
[24] D .L.Beveridge, F.M.Di Capua, "Free energy
via molecular simulation: applications to chemical and biomolecular systems," Annu. Rev. Biophys.
Biophys. Chem., 18, 431–492, 1989.
