Browsing Theses by Subject "Ab initio molecular orbital theory"

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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

Sajith, P K; Suresh, C H (Computational Modeling and Simulation Section Process Engineering and Environmental Technology Division,National Institute For Interdisciplinary Science and Technology (CSIR),Thiruvananthapuram, 2012)
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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