Development of quantitative structure-property relationships for predicting mutual trans influence and ligand bond dissociation energies in Pd(II), Pt(II) and hypervalent iodine complexes

dc.contributor.author	Sajith, P K
dc.contributor.author	Suresh, C H
dc.date.accessioned	2014-06-23T11:27:34Z
dc.date.available	2014-06-23T11:27:34Z
dc.date.issued	2012
dc.identifier.citation	Ph.d Thesis, University of Kerala, National Institute For Interdisciplinary Science and Technology (CSIR),Thiruvananthapuram,India; xxi +192pp	en_US
dc.identifier.uri	http://ir.niist.res.in:8080/jspui/handle/123456789/1543
dc.language.iso	en	en_US
dc.publisher	Computational Modeling and Simulation Section Process Engineering and Environmental Technology Division,National Institute For Interdisciplinary Science and Technology (CSIR),Thiruvananthapuram	en_US
dc.subject	Computational chemistry	en_US
dc.subject	Ab initio molecular orbital theory	en_US
dc.subject	Density Functional Theory (DFT)	en_US
dc.subject	Hybrid quantum mechanics	en_US
dc.subject	Molecular Electrostatic Potential (MESP)	en_US
dc.subject	Molecular dynamics	en_US
dc.title	Development of quantitative structure-property relationships for predicting mutual trans influence and ligand bond dissociation energies in Pd(II), Pt(II) and hypervalent iodine complexes	en_US
dc.type	Thesis	en_US