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Please use this identifier to cite or link to this item: http://localhost:8080/xmlui/handle/123456789/322
Title: Quantum mechanical assessment of stereoelectronic profile of phosphines and N-heterocyclic carbenes and applications in grubbs olefin metathesis catalysis
Authors: Jomon Mathew
Suresh, C H
Keywords: Olefin metathesis catalysts
Schrock catalysts
Grubbs catalysts
Enyne metathesis
Ab initio molecular orbital theory
Hartree-Fock theory
Perturbation theory
Density Functional Theory
Carbene ligands
MESP analysis
ONIOM
NHC Ligands
Metathesis
C-H activation
C-C bond formation
Computational chemistry
Phosphines
N-Heterocyclic carbene ligands
Issue Date: 2011
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; xviii + 195 pp
URI: http://hdl.handle.net/123456789/322
Appears in Collections:Theses

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