| dc.contributor.author | Casulleras Ambrós, Joaquín |
| dc.contributor.author | Guàrdia Manuel, Elvira |
| dc.contributor.other | Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear |
| dc.date.accessioned | 2014-11-25T15:26:54Z |
| dc.date.created | 1991-01 |
| dc.date.issued | 1991-01 |
| dc.identifier.citation | Casulleras, J.; Guardia, E. Computer simulation of liquid methanol ii:system size effects. "Molecular simulation", Gener 1991, vol. 8, núm. 3-5, p. 273-283. |
| dc.identifier.issn | 0892-7022 |
| dc.identifier.uri | http://hdl.handle.net/2117/24846 |
| dc.description.abstract | A series of molecular dynamics simulations of liquid methanol has been carried out on a supernode transputer array. Four system sizes from 125 to 512 molecules have been considered, in order to study the effect of system size on the calculated structural, orientational and dynamic properties. The dielectric constant and the dielectric relaxation time are compared with experimental data. |
| dc.format.extent | 11 p. |
| dc.language.iso | eng |
| dc.rights | Attribution-NonCommercial-NoDerivs 3.0 Spain |
| dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/es/ |
| dc.subject | Àrees temàtiques de la UPC::Física |
| dc.subject.lcsh | Molecular dynamics |
| dc.subject.lcsh | Methanol |
| dc.subject.lcsh | Dielectric relaxation |
| dc.subject.other | Molecular dynamics |
| dc.subject.other | methanol |
| dc.subject.other | system size effects |
| dc.subject.other | dielectric constant |
| dc.subject.other | dielectric relaxation time |
| dc.title | Computer simulation of liquid methanol ii:system size effects |
| dc.type | Article |
| dc.subject.lemac | Dinàmica molecular |
| dc.subject.lemac | Metanol |
| dc.subject.lemac | Relaxació dielèctrica |
| dc.contributor.group | Universitat Politècnica de Catalunya. SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity |
| dc.identifier.doi | 10.1080/08927029208022482 |
| dc.rights.access | Restricted access - publisher's policy |
| local.identifier.drac | 1246315 |
| dc.description.version | Postprint (published version) |
| dc.date.lift | 10000-01-01 |
| local.citation.author | Casulleras, J.; Guardia, E. |
| local.citation.publicationName | Molecular simulation |
| local.citation.volume | 8 |
| local.citation.number | 3-5 |
| local.citation.startingPage | 273 |
| local.citation.endingPage | 283 |
