A molecular dynamics study for the isomerization of Ar solvated (benzene)2-K+ heteroclusters

Chemical Physics

Volumn 327, Issue 1, 2006, Pages 105-111

  Alberti M ^a   Pacifici, L ^b   Lagana A ^b   Aguilar, A ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITY OF PERUGIA   (Italy)

Author keywords

Benzene clusters; Force fields; Molecular dynamics

Indexed keywords

EID: 33746863315     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2006.03.042     Document Type: Article

References (17)

1. Ondrechen M.J., Berkovitch-Yellin Z., and Jortner J. J. Am. Chem. Soc. 103 (1981) 6586
2. Schmidt M., LeCalvè J., and Mons M. J. Chem. Phys. 98 (1993) 6102 and references therein
3. Mons M., Courty A., Schmidt M., Le Calvè J., Piuzzi F., and Dimicoli I. J. Chem. Phys. 106 (1997) 1676
4. Easter D.C., Bailey L., Mellot J., Tirres M., and Weiss T. J. Chem. Phys. 108 (1998) 6135
5. Albertí M., Castro A., Laganà A., Moix M., Pirani F., Cappelletti D., and Liuti G. J. Phys. Chem. A 109 (2005) 2906
6. Albertí M., Castro A., Laganà A., Pirani F., Porrini M., and Cappelletti D. Chem. Phys. Lett. 392 (2004) 514
7. Dang L.X. J. Chem. Phys. 113 (2000) 266
8. Arteconi L., and Laganà A. Lect. Notes Comput. Sci. 3480 (2005) 1093
9. Pirani F., Albertí M., Castro A., Moix M., and Cappelletti D. Chem. Phys. Lett. 394 (2004) 37
10. Albertí M., Castro A., Laganà A., Moix M., Pirani F., and Cappelletti D. Eur. Phys. J. (2005) 10.1140/epjd/e2005-00303-6
11. De Wall S.L., Meadows E.S., Barbour L.J., and Gokel G.W. Proc. Nat. Acad. Sci. 97 12 (2000) 6217
12. Ma J.C., and Dougherty D.A. Chem. Rev. 97 (1997) 1303
13. Brupbacher Th., Makarewicz J., and Bauder A. J. Chem. Phys. 101 (1994) 9736
14. Cabarcos O.M., Weinheimer C.J., and Lisy J.M. J. Chem. Phys. 108 (1998) 5151
15. Cabarcos O.M., Weinheimer C.J., and Lisy J.M. J. Chem. Phys. 110 (1999) 8429
16. Morais-Cabral J.H., Zhou Y., and MacKinnon R. Nature 414 (2001) 37
17. http://www.dl.ac.uk/TCSC/Software/DL_POLY.