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Browsing by Subject "Hartree-Fock theory"

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

Jomon Mathew (Computational Modeling and Simulation Section, Process Engineering and Environmental Technology Division, National Institute for Interdisciplinary Science and Technology(CSIR), Thiruvananthapuram., 2011)

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