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Browsing by Author Vijayalakshmi, K P
Showing results 1 to 9 of 9
| Issue Date | Title | Author(s) |
| 2017-03-20 | Ammonia Borane Clusters: Energetics of Dihydrogen Bonding, Cooperativity, and the Role of Electrostatics | Vijayalakshmi, K P; Suresh, C H |
| 2010 | Comparison of Aromatic NH ...pi, OH...pi, and CH ...pi Interactions of Alanine using MP2, CCSD, and DFT methods | Neetha, M; Vijayalakshmi, K P; Koga, N; Suresh, C H |
| 2011 | Mechanism of epoxide hydrolysis in microsolvated nucleotide bases adenine, guanine and cytosine: A DFT study | Vijayalakshmi, K P; Neetha, M; Ajitha, M J; Suresh, C H |
| 2011 | Mechanism of epoxide hydrolysis in microsolvated nucleotide bases adenine, guanine and cytosine: A DFT study | Vijayalakshmi, K P; Neetha, M; Ajitha, M J; Suresh, C H |
| 2008 | Role of structural water molecule in HIV protease-inhibitor complexes: A QM/MM study | Suresh, C H; Mary Vargheese, A; Vijayalakshmi, K P; Neeta Mohan; Koga, N |
| 2008 | Theoretical studies on the carcinogenic activity of diol epoxide derivatives of PAH: proton affinity and aromaticity as decisive descriptors | Vijayalakshmi, K P; Suresh, C H |
| 2008 | Theoretical studies on the carcinogenicity of polycyclic aromatic hydrocarbons | Vijayalakshmi, K P; Suresh, C H |
| 2009 | Typical aromatic noncovalent interactions in proteins: A theoretical study using phenylalanine | Suresh, C H; Neetha Mohan; Vijayalakshmi, K P; George, R; Janice M Mathew |
| 2008 | Use of molecular electrostatic potential for quantitative assessment of inductive effect | Suresh, C H; Alexander, P; Vijayalakshmi, K P; Sajith, P K; Gadre, S R |
