Examination of the Feynman-Hibbs Approach in the Study of Ne$_N$-Coronene Clusters at Low Temperatures

Autor: Rodríguez-Cantano, R., de Tudela, R. Pérez, Bartolomei, M., Hernández, M. I., Campos-Martínez, J., González-Lezana, T., Villarreal, P., Hernández-Rojas, J., Bretón, J.

Feynman-Hibbs (FH) effective potentials constitute an appealing approach for investigations of many-body systems at thermal equilibrium since they allow us to easily include quantum corrections within standard classical simulations. In this work we a

Externí odkaz: http://arxiv.org/abs/1602.07898

Global Potential Energy Minima of $(H_2O)_n$ Clusters on Graphite: A Comparative Study of the TIP$N$P ($N=3,4,5$) Family

Autor: González, B. S., Hernández-Rojas, J., Bretón, J., Llorente, J. M. Gomez

Publikováno v: J. Phys. Chem. C 112, 16497-16504 (2008)

The water-graphite interaction potential proposed recently (Gonz\'alez et al.\emph{J. Phys. Chem. C} \textbf{2007}, \emph{111}, 14862), the three TIP$N$P ($N=3,\:4,\:5$) water-water interaction models, and basin-hopping global optimization are used t

Externí odkaz: http://arxiv.org/abs/0804.1664

Global Potential Energy Minima of (H$_{2}$O)$_{n}$ Clusters on Graphite

Autor: Gonzalez, B. S., Hernandez-Rojas, J., Breton, J., Llorente, J. M. Gomez

Publikováno v: J. Phys. Chem. C 111, 14862 (2007)

Likely candidates for the global potential energy minima of (H$_{2}$O)$_{n}$ clusters with $n\leq21$ on the (0001)-surface of graphite are found using basin-hopping global optimization. The potential energy surfaces are constructed using the TIP4P in

Externí odkaz: http://arxiv.org/abs/0706.1152

Water clusters confined in icosahedral fullerene cavities

Autor: Hernández-Rojas, J., Monteseguro, V., Bretón, J., Gomez Llorente, J.M.

Publikováno v: In Chemical Physics 3 May 2012 399:240-244

Rare gas-naphthalene interaction: Intermolecular potentials and clusters’ structures

Autor: Bartolomei M., Hernández M.I., Campos-Martínez J., García-Arroyo E., Hernández-Rojas J., Pirani F., Arteaga-Gutiérrez K.

Publikováno v: Repositorio Institucional del Instituto Madrileño de Estudios Avanzados en Nanociencia
Instituto Madrileño de Estudios Avanzados en Nanociencia (IMDEA Nanociencia)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=RECOLECTA___::964d466403627c11fb6d7374a2494339
http://hdl.handle.net/20.500.12614/2586