Nisanth N. Nair

Affiliations: 
Indian Institute of Technology Kanpur, Kanpur, Uttar Pradesh, India 
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Kunnikuruvan S, Parandekar PV, Prakash O, et al. (2016) Insights into the Mechanism and Kinetics of Thermo-Oxidative Degradation of HFPE High Performance Polymer. The Journal of Physical Chemistry. B
Sahoo SK, Nair NN. (2016) CPMD/GULP QM/MM interface for modeling periodic solids: Implementation and its application in the study of Y-zeolite supported Rhn clusters. Journal of Computational Chemistry
Awasthi S, Kapil V, Nair NN. (2016) Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics. Journal of Computational Chemistry. 37: 1413-24
Tripathi R, Nair NN. (2016) Deacylation Mechanism and Kinetics of Acyl-Enzyme Complex of Class C β-Lactamase and Cephalothin. The Journal of Physical Chemistry. B. 120: 2681-90
Sahoo SK, Nair NN. (2015) A potential with low point charges for pure siliceous zeolites. Journal of Computational Chemistry. 36: 1562-7
Imandi V, Nair NN. (2015) Can the Absence of Isotope Scrambling in the Wacker Oxidation of Allyl Alcohol Disprove Outer Sphere Hydroxypalladation? The Journal of Physical Chemistry. B. 119: 11176-83
Namsani S, Nair NN, Singh JK. (2015) Interaction potential models for bulk ZnS, ZnS nanoparticle, and ZnS nanoparticle-PMMA from first-principles. Journal of Computational Chemistry. 36: 1176-86
Tripathi R, Nair NN. (2015) Mechanism of Meropenem Hydrolysis by New Delhi Metallo β-Lactamase Acs Catalysis. 5: 2577-2586
Ghosh TK, Nair NN. (2015) Nature of β-TaON surfaces at ambient conditions Surface Science. 635: 19-26
Ghosh TK, Nair NN. (2015) Alumina-supported Rh, Rh2, and RhI(CO) as catalysts for hydrogen evolution from water Surface Science. 632: 20-27
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