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

Varadwaj, Pradeep R.; Cukrowski, Ignacy; Perry, Christopher B.; Marques, Helder M.

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