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

dc.contributor.authorSuárez Álvarez, Ernesto 
dc.contributor.authorDíaz Fernández, Natalia 
dc.contributor.authorSuárez Rodríguez, Dimas 
dc.date.accessioned2013-01-30T10:02:17Z
dc.date.available2013-01-30T10:02:17Z
dc.date.issued2011
dc.identifier.citationJournal of Chemical Theory and Computation, 7(8), p. 2638-2653 (2011); doi:10.1021/ct200216nspa
dc.identifier.issn1549-9618
dc.identifier.urihttp://hdl.handle.net/10651/7289
dc.format.extentp. 2638-2653spa
dc.language.isoeng
dc.relation.ispartofJournal of Chemical Theory and Computationspa
dc.rights(c) American Chemical Society
dc.sourceWOKspa
dc.titleEntropy Calculations of Single Molecules by Combining the Rigid-Rotor and Harmonic-Oscillator Approximations with Conformational Entropy Estimations from Molecular Dynamics Simulationsspa
dc.typejournal article
dc.identifier.local20110895spa
dc.identifier.doi10.1021/ct200216n
dc.relation.publisherversionhttp://dx.doi.org/10.1021/ct200216nspa


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