Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/5046
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Varandas, A. J. C. | - |
dc.date.accessioned | 2008-09-01T15:03:01Z | - |
dc.date.available | 2008-09-01T15:03:01Z | - |
dc.date.issued | 2007 | en_US |
dc.identifier.citation | Chemical Physics Letters. 439:4-6 (2007) 386-392 | en_US |
dc.identifier.uri | https://hdl.handle.net/10316/5046 | - |
dc.description.abstract | By expressing an unknown state in terms of a complete set, a simple scheme for approximate quantization of the continuous vibrational-rotational energy distributions that are obtained from quasi-classical trajectory calculations is suggested. The problem of zero-point energy leakage is also revisited, and the new method tested on the prototype O + OH and H + D2 reactions. | en_US |
dc.description.uri | http://www.sciencedirect.com/science/article/B6TFN-4NCJCX1-3/1/cba1ca88eec1685b1502de957a8cc175 | en_US |
dc.format.mimetype | aplication/PDF | en |
dc.language.iso | eng | eng |
dc.rights | openAccess | eng |
dc.title | Trajectory binning scheme and non-active treatment of zero-point energy leakage in quasi-classical dynamics | en_US |
dc.type | article | en_US |
dc.identifier.doi | 10.1016/j.cplett.2007.03.090 | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.openairetype | article | - |
item.cerifentitytype | Publications | - |
item.grantfulltext | open | - |
item.fulltext | Com Texto completo | - |
item.languageiso639-1 | en | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.orcid | 0000-0003-1501-3317 | - |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
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file184d2cdb800b4e108d97133105be260f.pdf | 4.11 MB | Adobe PDF | View/Open |
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