A density functional theory and quantum theory of atoms-in-molecules analysis of the stability of Ni(II) complexes of some amino alcohol ligands

dc.contributor.authorVaradwaj, Pradeep R.
dc.contributor.authorCukrowski, Ignacy
dc.contributor.authorPerry, Christopher B.
dc.contributor.authorMarques, Helder M.
dc.contributor.emailignacy.cukrowski@up.ac.zaen_US
dc.date.accessioned2011-08-25T06:33:58Z
dc.date.available2011-08-25T06:33:58Z
dc.date.issued2011-05
dc.description.abstractPlease read abstract in article.en_US
dc.description.sponsorshipI.C. acknowledges financial support from National Research Foundation, Pretoria, and the University of Pretoria. H.M.M. acknowledges funding by the South African Research Chairs Initiative of the Department of Science and Technology administered by the National Research Foundation, Pretoria, the Mellon Foundation through grants administered by the University of the Witwatersrand, and the University Research Committee of the University of the Witwatersrand.en_US
dc.description.urihttp://pubs.acs.org/journal/jpcafhen_US
dc.identifier.citationVaradwaj, PR, Cukrowski, I, Perry, CB & Marques, HM 2011, 'A density functional theory and quantum theory of atoms-in-molecules analysis of the stability of Ni(II) complexes of some amino alcohol ligands', Journal of Physical Chemistry A, vol. 115, no. 24, pp. 6629–6640.en
dc.identifier.issn1089-5639 (print)
dc.identifier.issn1520-5215 (online)
dc.identifier.other10.1021/jp201922w
dc.identifier.urihttp://hdl.handle.net/2263/17163
dc.language.isoenen_US
dc.publisherAmerican Chemical Societyen_US
dc.rights© 2011 American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry A, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/page/policy/articlesonrequest/index.html. This article is embargoed by the publisher till May 2012.en
dc.subjectAqueous solutionsen
dc.subjectCoordination chemistryen
dc.subject.lcshDensity functionalsen
dc.subject.lcshQuantum theoryen
dc.subject.lcshAmino alcohols -- Stabilityen
dc.subject.lcshLigands (Biochemistry)en
dc.titleA density functional theory and quantum theory of atoms-in-molecules analysis of the stability of Ni(II) complexes of some amino alcohol ligandsen
dc.typePostprint Articleen

Files

Original bundle

Now showing 1 - 2 of 2
Thumbnail Image
Name:
Varadwaj_Density(2011).pdf
Size:
410.51 KB
Format:
Adobe Portable Document Format
Description:
Postprint Article
Download
Thumbnail Image
Name:
Varadwaj_Density(2011)a.pdf
Size:
1.12 MB
Format:
Adobe Portable Document Format
Description:
Supporting Information
Download

License bundle

Now showing 1 - 1 of 1
Thumbnail Image
Name:
license.txt
Size:
1.71 KB
Format:
Item-specific license agreed upon to submission
Description:
Download

Collections

Research Articles (Chemistry)
Research Articles (University of Pretoria)
Simple item page