Finite Temperature Properties of Clusters by Replica Exchange Metadynamics: The Water Nonamer.
The article presents a research which examines the thermal properties of classical nanoclusters by using replica exchange metadynamics method. It is reported that, the method is basically a sampling technique in which yields the true free energy of each relevant cluster structure. It is reported tha...
| Publicado en: | Journal of the American Chemical Society Vol. 133; no. 8; pp. 2535 - 2541 |
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| Formato: | Artículo |
| Publicado: |
American Chemical Society
3/2/2011
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=62992869&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 62992869 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 3/2/2011 vid: 133 iid: 8 pid: 997 pub: American Chemical Society artinfo: ui: 62992869 10.1021/ja1076316 ppf: 2535 ppct: 6 formats: tig: atl: Finite Temperature Properties of Clusters by Replica Exchange Metadynamics: The Water Nonamer. aug: su: Sampling (Process) Water Entropy Nanoparticles Systems theory sug: subj: Sampling (Process) Water Entropy Nanoparticles Systems theory ab: The article presents a research which examines the thermal properties of classical nanoclusters by using replica exchange metadynamics method. It is reported that, the method is basically a sampling technique in which yields the true free energy of each relevant cluster structure. It is reported that, the researchers used water nonamer (HO), and after using the method they discovered that the nanomer second relevant structure possesses a higher configurational entropy than the first. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2011 holdings: @attributes: islocal: N |
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