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

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dc.contributor.author Varadwaj, Pradeep R.
dc.contributor.author Cukrowski, Ignacy
dc.contributor.author Perry, Christopher B.
dc.contributor.author Marques, Helder M.
dc.date.accessioned 2011-08-25T06:33:58Z
dc.date.available 2011-08-25T06:33:58Z
dc.date.issued 2011-05
dc.description.abstract Please read abstract in article. en_US
dc.description.sponsorship I.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.uri http://pubs.acs.org/journal/jpcafh en_US
dc.identifier.citation Varadwaj, 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.issn 1089-5639 (print)
dc.identifier.issn 1520-5215 (online)
dc.identifier.other 10.1021/jp201922w
dc.identifier.uri http://hdl.handle.net/2263/17163
dc.language.iso en en_US
dc.publisher American Chemical Society en_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.subject Aqueous solutions en
dc.subject Coordination chemistry en
dc.subject.lcsh Density functionals en
dc.subject.lcsh Quantum theory en
dc.subject.lcsh Amino alcohols -- Stability en
dc.subject.lcsh Ligands (Biochemistry) en
dc.title A density functional theory and quantum theory of atoms-in-molecules analysis of the stability of Ni(II) complexes of some amino alcohol ligands en
dc.type Postprint Article en


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