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Article: Theoretical studies of the first-row transition metal phosphides

TitleTheoretical studies of the first-row transition metal phosphides
Authors
Tong, GSMJeung, GHCheung, ASC
KeywordsPhysics chemistry
Issue Date2003
PublisherAmerican Institute of Physics. The Journal's web site is located at http://jcp.aip.org/jcp/staff.jsp
Citation
Journal of Chemical Physics, 2003, v. 118 n. 20, p. 9224-9232 How to Cite?
DOI: http://dx.doi.org/10.1063/1.1568078
AbstractB3LYP calculations were performed with an extended basis set on the first-row TM phosphides. It was found that the ground states of these phosphides follow those of the isoelectronic sulfides. In addition, the covalent character of these phosphides increase across the series from Sc to Cu, in accordance with the electronegativity difference.
Persistent Identifierhttp://hdl.handle.net/10722/42024
ISSN
0021-9606
2023 Impact Factor: 3.1
2023 SCImago Journal Rankings: 1.101
ISI Accession Number ID
WOS:000182794300020
References
References in Scopus

 

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dc.contributor.authorTong, GSMen_HK
dc.contributor.authorJeung, GHen_HK
dc.contributor.authorCheung, ASCen_HK
dc.date.accessioned2007-01-08T02:27:14Z-
dc.date.available2007-01-08T02:27:14Z-
dc.date.issued2003en_HK
dc.identifier.citationJournal of Chemical Physics, 2003, v. 118 n. 20, p. 9224-9232-
dc.identifier.issn0021-9606en_HK
dc.identifier.urihttp://hdl.handle.net/10722/42024-
dc.description.abstractB3LYP calculations were performed with an extended basis set on the first-row TM phosphides. It was found that the ground states of these phosphides follow those of the isoelectronic sulfides. In addition, the covalent character of these phosphides increase across the series from Sc to Cu, in accordance with the electronegativity difference.en_HK
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dc.languageengen_HK
dc.publisherAmerican Institute of Physics. The Journal's web site is located at http://jcp.aip.org/jcp/staff.jspen_HK
dc.relation.ispartofJournal of Chemical Physicsen_HK
dc.rightsCopyright 2003 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Journal of Chemical Physics, 2003, v. 118 n. 20, p. 9224-9232 and may be found at https://doi.org/10.1063/1.1568078-
dc.subjectPhysics chemistryen_HK
dc.titleTheoretical studies of the first-row transition metal phosphidesen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0021-9606&volume=118&issue=20&spage=9224&epage=9232&date=2003&atitle=Theoretical+Studies+of+the+first-row+transition+metal+phosphidesen_HK
dc.identifier.emailTong, GSM:tongsm@hkucc.hku.hken_HK
dc.identifier.emailCheung, ASC:hrsccsc@hku.hken_HK
dc.identifier.authorityTong, GSM=rp00790en_HK
dc.identifier.authorityCheung, ASC=rp00676en_HK
dc.description.naturepublished_or_final_versionen_HK
dc.identifier.doi10.1063/1.1568078en_HK
dc.identifier.scopuseid_2-s2.0-0038278463en_HK
dc.identifier.hkuros114066-
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dc.identifier.hkuros76444-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0038278463&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume118en_HK
dc.identifier.issue20en_HK
dc.identifier.spage9224en_HK
dc.identifier.epage9232en_HK
dc.identifier.isiWOS:000182794300020-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridTong, GSM=7102328656en_HK
dc.identifier.scopusauthoridJeung, GH=6701702210en_HK
dc.identifier.scopusauthoridCheung, ASC=7401806538en_HK
dc.identifier.issnl0021-9606-

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