Quantum mechanical assessment of stereoelectronic profile of phosphines and N-heterocyclic carbenes and applications in grubbs olefin metathesis catalysis

dc.contributor.author	Jomon Mathew
dc.date.accessioned	2012-05-25T06:24:15Z
dc.date.available	2012-05-25T06:24:15Z
dc.date.issued	2011
dc.identifier.citation	Ph.d Thesis, University of Kerala, National Institute for Interdisciplinary Science and Technology(CSIR), Thiruvananthapuram, India; xviii + 195 pp	en_US
dc.identifier.other	G/3123
dc.identifier.uri	http://hdl.handle.net/123456789/322
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	Olefin metathesis catalysts	en_US
dc.subject	Schrock catalysts	en_US
dc.subject	Grubbs catalysts	en_US
dc.subject	Enyne metathesis	en_US
dc.subject	Ab initio molecular orbital theory	en_US
dc.subject	Hartree-Fock theory	en_US
dc.subject	Perturbation theory	en_US
dc.subject	Density Functional Theory	en_US
dc.subject	Carbene ligands	en_US
dc.subject	MESP analysis	en_US
dc.subject	ONIOM	en_US
dc.subject	NHC Ligands	en_US
dc.subject	Metathesis	en_US
dc.subject	C-H activation	en_US
dc.subject	C-C bond formation	en_US
dc.subject	Computational chemistry	en_US
dc.subject	Phosphines	en_US
dc.subject	N-Heterocyclic carbene ligands	en_US
dc.title	Quantum mechanical assessment of stereoelectronic profile of phosphines and N-heterocyclic carbenes and applications in grubbs olefin metathesis catalysis	en_US
dc.type	Thesis	en_US
dc.contributor.guide	Suresh, C H	en_US