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dc.contributor.authorJomon Mathew-
dc.date.accessioned2012-05-25T06:24:15Z-
dc.date.available2012-05-25T06:24:15Z-
dc.date.issued2011-
dc.identifier.citationPh.d Thesis, University of Kerala, National Institute for Interdisciplinary Science and Technology(CSIR), Thiruvananthapuram, India; xviii + 195 ppen_US
dc.identifier.otherG/3123-
dc.identifier.urihttp://hdl.handle.net/123456789/322-
dc.language.isoenen_US
dc.publisherComputational Modeling and Simulation Section, Process Engineering and Environmental Technology Division, National Institute for Interdisciplinary Science and Technology(CSIR), Thiruvananthapuram.en_US
dc.subjectOlefin metathesis catalystsen_US
dc.subjectSchrock catalystsen_US
dc.subjectGrubbs catalystsen_US
dc.subjectEnyne metathesisen_US
dc.subjectAb initio molecular orbital theoryen_US
dc.subjectHartree-Fock theoryen_US
dc.subjectPerturbation theoryen_US
dc.subjectDensity Functional Theoryen_US
dc.subjectCarbene ligandsen_US
dc.subjectMESP analysisen_US
dc.subjectONIOMen_US
dc.subjectNHC Ligandsen_US
dc.subjectMetathesisen_US
dc.subjectC-H activationen_US
dc.subjectC-C bond formationen_US
dc.subjectComputational chemistryen_US
dc.subjectPhosphinesen_US
dc.subjectN-Heterocyclic carbene ligandsen_US
dc.titleQuantum mechanical assessment of stereoelectronic profile of phosphines and N-heterocyclic carbenes and applications in grubbs olefin metathesis catalysisen_US
dc.typeThesisen_US
dc.contributor.guideSuresh, C Hen_US
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