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Please use this identifier to cite or link to this item: http://localhost:8080/xmlui/handle/123456789/1543
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
Authors: Sajith, P K
Suresh, C H
Keywords: Computational chemistry
Ab initio molecular orbital theory
Density Functional Theory (DFT)
Hybrid quantum mechanics
Molecular Electrostatic Potential (MESP)
Molecular dynamics
Issue Date: 2012
Publisher: Computational Modeling and Simulation Section Process Engineering and Environmental Technology Division,National Institute For Interdisciplinary Science and Technology (CSIR),Thiruvananthapuram
Citation: Ph.d Thesis, University of Kerala, National Institute For Interdisciplinary Science and Technology (CSIR),Thiruvananthapuram,India; xxi +192pp
URI: http://ir.niist.res.in:8080/jspui/handle/123456789/1543
Appears in Collections:Theses

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