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Browsing Theses by Subject "Density Functional Theory (DFT)"

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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)

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