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Results 1-10 of 33 (Search time: 0.001 seconds).
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Issue DateTitleAuthor(s)
2015Supramolecular Polymerization: A Coarse Grained Molecular Dynamics StudyBejagam, Karteek K.; Balasubramanian, Sundaram
2015Atomistic simulations of ammonium-based protic ionic liquids: steric effects on structure, low frequency vibrational modes and electrical conductivitySunda, Anurag Prakash; Monda, Anirban; Balasubramanian, Sundaram
2015Autoresolution of Segregated and Mixed p-n Stacks by Stereoselective Supramolecular Polymerization in SolutionNarayan, Bhawani; Bejagam, Karteek K.; Balasubramanian, Sundaram; George, Subi J.
2015Slow ligand-induced conformational switch increases the catalytic rate in Plasmodium falciparum hypoxanthine guanine xanthine phosphoribosyltransferaseRoy, Sourav; Karmakar, Tarak; Rao, Vasudeva S. Prahlada; Nagappa, Lakshmeesha K.; Balasubramanian, Sundaram; Balaram, Hemalatha
2015Dissolution of Cellulose in Room Temperature Ionic Liquids: Anion DependencePayal, Rajdeep Singh; Bejagam, Karteek K.; Mondal, Anirban; Balasubramanian, Sundaram
2015A Refined All-Atom Potential for lmidazolium-Based Room Temperature Ionic Liquids: Acetate, Dicyanamide, and Thiocyanate AnionsMondal, Anirban; Balasubramanian, Sundaram
2015Vibrational Signatures of Cation-Anion Hydrogen Bonding in Ionic Liquids: A Periodic Density Functional Theory and Molecular Dynamics StudyMondal, Anirban; Balasubramanian, Sundaram
2015Modelling Gas Adsorption in Porous Solids: Roles of Surface Chemistry and Pore ArchitectureBonakala, Satyanarayana; Balasubramanian, Sundaram
2014Supramolecular Polymerization of Benzene-1,3,5-tricarboxamide: A Molecular Dynamics Simulation StudyBejagam, Karteek K.; Fiorin, Giacomo; Klein, Michael L.; Balasubramanian, Sundaram
2014Dissolution of cellulose in ionic liquids: an ab initio molecular dynamics simulation studyPayal, Rajdeep Singh; Balasubramanian, Sundaram