Entropy Calculations of Single Molecules by Combining the Rigid-Rotor and Harmonic-Oscillator Approximations with Conformational Entropy Estimations from Molecular Dynamics Simulations

dc.contributor.author	Suárez Álvarez, Ernesto
dc.contributor.author	Díaz Fernández, Natalia
dc.contributor.author	Suárez Rodríguez, Dimas
dc.date.accessioned	2013-01-30T10:02:17Z
dc.date.available	2013-01-30T10:02:17Z
dc.date.issued	2011
dc.identifier.citation	Journal of Chemical Theory and Computation, 7(8), p. 2638-2653 (2011); doi:10.1021/ct200216n	spa
dc.identifier.issn	1549-9618
dc.identifier.uri	http://hdl.handle.net/10651/7289
dc.format.extent	p. 2638-2653	spa
dc.language.iso	eng
dc.relation.ispartof	Journal of Chemical Theory and Computation	spa
dc.rights	(c) American Chemical Society
dc.source	WOK	spa
dc.title	Entropy Calculations of Single Molecules by Combining the Rigid-Rotor and Harmonic-Oscillator Approximations with Conformational Entropy Estimations from Molecular Dynamics Simulations	spa
dc.type	journal article
dc.identifier.local	20110895	spa
dc.identifier.doi	10.1021/ct200216n
dc.relation.publisherversion	http://dx.doi.org/10.1021/ct200216n	spa

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