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Browsing by Subject Computational chemistry
Showing results 1 to 4 of 4
| Issue Date | Title | Author(s) |
| 2012 | 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 |
| 2018-01 | Experimental and DFT Studies for Substituent Effects on Cycloadditions of C,N-Disubstituted Nitrones to Cinnamoyl Piperidine | Mandal, S; Maiti, K K; Avijit, B; Prange, T; Neuman, A; Nivedita, A |
| 2014 | Molecular electrostatics for probing hydrogen bonds, halogen bonds and lone pair-π interactions and design of receptors for lone pair bearing molecules | Neetha Mohan; Suresh, C H |
| 2011 | Quantum mechanical assessment of stereoelectronic profile of phosphines and N-heterocyclic carbenes and applications in grubbs olefin metathesis catalysis | Jomon Mathew; Suresh, C H |
