Selected Publications

Begum, S. S., Das, D., Gour, N. K., & Deka, R. C. (2021). Computational modelling of nanotube delivery of anti-cancer drug into glutathione reductase enzyme. Scientific reports, 11(1), 1-14.
Uppuladinne, M. V., Dowerah, D., Sonavane, U. B., Ray, S. K., Deka, R. C., & Joshi, R. R. (2021). Structural Insight into Locked Nucleic Acid based Novel Antisense Modifications: A DFT calculations at monomer and MD simulations at oligomer level. Journal of Molecular Graphics and Modelling, 107945.
Baruah, S. D., Paul, S., Gour, N. K., Biswakarma, N., & Deka, R. C. (2021). Mechanism and kinetics of catalytic oxidation of CO to CO2 over Ptn+ and MPtn-1+,(M= Sn, Rh &Ru; n= 3, 4) clusters. Molecular Catalysis, 509, 111638.
Gogoi, P., Paul, S., Mishra, B. K., Gour, N. K., & Deka, R. C. (2021). Tropospheric Oxidation of 1 H-Heptafluorocyclopentene (cyc-CF2CF2CF2CF═ CH−) with OH Radicals: Reaction Mechanism, Kinetics, and Global Warming Potentials. ACS Earth and Space Chemistry, 5(7), 1792-1800.
Saikia, S., Deka, P., Saikia, L., & Deka, R. C. (2021). Influence of solvent on morphological texture and catalytic activity of SnO2 nanoparticles. International Journal of Nanotechnology, 18(5-8), 358-373.
Sarma, P. J., Dowerah, D., Gour, N. K., Logsdail, A. J., Catlow, C. R. A., & Deka, R. C. (2021). Tuning the transition barrier of H 2 dissociation in the hydrogenation of CO 2 to formic acid on Ti-doped Sn 2 O 4 clusters. Physical Chemistry Chemical Physics, 23(1), 204-210.
Baruah, S. D., Sarma, P. J., Gour, N. K., & Deka, R. C. (2019). Effect of single metal dopant (Rh, Ru and Sn) on Ptn+ (n= 3 and 4) clusters for controlled CO tolerance. Chemical Physics Letters, 717, 82-86.
Sarma, P. J., Dey Baruah, S., Logsdail, A., & Deka, R. C. (2019). Hydride pinning pathway in the hydrogenation of CO2 into formic acid on dimeric tin dioxide. ChemPhysChem, 20(5), 680-686.
Kalita, B., & Deka, R. C. (2009). Reaction intermediates of CO oxidation on gas phase Pd4 clusters: a density functional study. Journal of the American Chemical Society, 131(37), 13252-13254.
Saikia, N., Jha, A. N., & Deka, R. C. (2013). Dynamics of fullerene-mediated heat-driven release of drug molecules from carbon nanotubes. The Journal of Physical Chemistry Letters, 4(23), 4126-4132.
Kalita, B., & Deka, R. C. (2009). Investigation of reverse-hydrogen spillover on zeolite-supported palladium tetramer by ONIOM method. The Journal of Physical Chemistry C, 113(36), 16070-16076.
Kalita, B., & Deka, R. C. (2009). DFT study of CO adsorption on neutral and charged Pd n (n= 1–7) clusters. The European Physical Journal D, 53(1), 51-58.
Baishya, S., & Deka, R. C. (2011). Hybrid density functional/molecular mechanics studies on activated adsorption of oxygen on zeolite supported gold monomer. The Journal of chemical physics, 135(24), 244703.
Deka, A., & Deka, R. C. (2008). Structural and electronic properties of stable Aun (n= 2–13) clusters: a density functional study. Journal of Molecular Structure: THEOCHEM, 870(1-3), 83-93.
Bania, K. K., & Deka, R. C. (2011). Influence of zeolite framework on the structure, properties, and reactivity of cobalt phenanthroline complex: a combined experimental and computational study. The Journal of Physical Chemistry C, 115(19), 9601-9607.
Bania, K. K., & Deka, R. C. (2012). Experimental and theoretical evidence for encapsulation and tethering of 1, 10-phenanthroline complexes of Fe, Cu, and Zn in Zeolite–Y. The Journal of Physical Chemistry C, 116(27), 14295-14310.
Bania, K. K., & Deka, R. C. (2013). Zeolite-y encapsulated metal picolinato complexes as catalyst for oxidation of phenol with hydrogen peroxide. The Journal of Physical Chemistry C, 117(22), 11663-11678.
Deka, R. C., Ajitha, D., & Hirao, K. (2003). Adsorption of Small Molecules in Zeolites: A Local Hard− Soft Acid− Base Approach. The Journal of Physical Chemistry B, 107(33), 8574-8577.

List of Full Publications

Ramesh Ch. Deka- Google Scholar

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Selected Publications

Kalita, B., & Deka, R. C. (2009). Investigation of reverse-hydrogen spillover on zeolite-supported palladium tetramer by ONIOM method. The Journal of Physical Chemistry C, 113(36), 16070-16076.

Kalita, B., & Deka, R. C. (2009). DFT study of CO adsorption on neutral and charged Pd n (n= 1–7) clusters. The European Physical Journal D, 53(1), 51-58.

Baishya, S., & Deka, R. C. (2011). Hybrid density functional/molecular mechanics studies on activated adsorption of oxygen on zeolite supported gold monomer. The Journal of chemical physics, 135(24), 244703.

Deka, A., & Deka, R. C. (2008). Structural and electronic properties of stable Aun (n= 2–13) clusters: a density functional study. Journal of Molecular Structure: THEOCHEM, 870(1-3), 83-93.

Bania, K. K., & Deka, R. C. (2011). Influence of zeolite framework on the structure, properties, and reactivity of cobalt phenanthroline complex: a combined experimental and computational study. The Journal of Physical Chemistry C, 115(19), 9601-9607.

Bania, K. K., & Deka, R. C. (2012). Experimental and theoretical evidence for encapsulation and tethering of 1, 10-phenanthroline complexes of Fe, Cu, and Zn in Zeolite–Y. The Journal of Physical Chemistry C, 116(27), 14295-14310.

Bania, K. K., & Deka, R. C. (2013). Zeolite-y encapsulated metal picolinato complexes as catalyst for oxidation of phenol with hydrogen peroxide. The Journal of Physical Chemistry C, 117(22), 11663-11678.

Deka, R. C., Ajitha, D., & Hirao, K. (2003). Adsorption of Small Molecules in Zeolites: A Local Hard− Soft Acid− Base Approach. The Journal of Physical Chemistry B, 107(33), 8574-8577.

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List of Full Publications

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