MCTDH calculations on the rigid OH radical moving along a (10,0) carbon nanotube

Chemical Physics Letters

Volumn 575, Issue , 2013, Pages 18-22

  Skouteris, Dimitrios ^a   Laganà, Antonio ^a  

^a UNIVERSITY OF PERUGIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ALIGNMENT PARAMETER; ATOM-ATOM POTENTIALS; FUNCTION OF TIME; INTERACTION POTENTIALS; OH RADICAL; TIME-DEPENDENT;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

FREE RADICALS;

EID: 84878837419     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.04.075     Document Type: Article

References (20)

1. D. Ugarte, A. Chatelain, and W.A. de Heer Science 1996 1897 274
2. D.A. Britz, A.N. Khlobystov, K. Porfyrakis, A. Ardavan, and G.A.D. Briggs Chem. Commun. 2005 37
3. X. Pan, Z. Fan, W. Chen, Y. Ding, H. Luo, and X. Bao Nat. Mater. 6 2007 507
4. M.D. Halls, and H.B. Schlegel J. Phys. Chem. B 2002 1921 106
5. T. Lu, E.M. Goldfield, and S.K. Gray J. Phys. Chem. B 107 2003 12989
6. T. Lu, E.M. Goldfield, and S.K. Gray J. Phys. Chem. B 110 2006 1742
7. T. Lu, E.M. Goldfield, and S.K. Gray J. Phys. Chem. C 112 2008 2654
8. T. Lu, E.M. Goldfield, and S.K. Gray J. Phys. Chem. C 112 2008 15260
9. T. Lu, E.M. Goldfield, and S.K. Gray J. Phys. Chem. C 114 2010 9030
10. D. Skouteris, and A. Laganà Lect. Notes Comp. Sci. 3980 2006 757
11. D. Skouteris, O. Gervasi, and A. Laganà Theor. Chem. Acc. 118 2007 47
12. D. Skouteris, O. Gervasi, and A. Laganà Comp. Phys. Commun. 180 2009 459
13. D. Skouteris, O. Gervasi, and A. Laganà Chem. Phys. Lett. 500 2010 144
14. D. Skouteris, A. Laganà, Int. J. Quantum Chem., in preparation, http://dx.doi.org/10.1002/qua.24295.
15. H.-D. Meyer, U. Manthe, and L.S. Cederbaum Chem. Phys. Lett. 165 1990 73
16. U. Manthe, H.-D. Meyer, and L.S. Cederbaum J. Chem. Phys. 97 1992 3199
17. M.H. Beck, A. Jäckle, G.A. Worth, and H.-D. Meyer Phys. Rep. 324 2000 1
18. H.-D. Meyer, and G.A. Worth Theor. Chem. Acc. 109 2003 251
19. H.-D. Meyer, F. Gatti, and G.A. Worth H.-D. Meyer, F. Gatti, G.A. Worth, Multidimensional Quantum Dynamics: MCTDH Theory and Applications 2009 Wiley-VCH Verlag 17
20. T. Werder, J.H. Walther, R.L. Jaffe, T. Halicioglu, and P. Koumoutsakos J. Phys. Chem. B 107 2003 1345