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Results 1-10 of 11 (Search time: 0.003 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
2015A Refined All-Atom Potential for lmidazolium-Based Room Temperature Ionic Liquids: Acetate, Dicyanamide, and Thiocyanate AnionsMondal, Anirban; Balasubramanian, Sundaram
2015Dissolution of Cellulose in Room Temperature Ionic Liquids: Anion DependencePayal, Rajdeep Singh; Bejagam, Karteek K.; Mondal, 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
2014Quantitative Prediction of Physical Properties of Imidazolium Based Room Temperature Ionic Liquids through Determination of Condensed Phase Site Charges: A Refined Force FieldMondal, Anirban; Balasubramanian, Sundaram
2014Charge-transfer complexation between naphthalene diimides and aromatic solventsKulkarni, Chidambar; Periyasamy, Ganga; Balasubramanian, Sundaram; George, Subi Jacob
2014Elucidating the interaction of H2O2 with polar amino acids - Quantum chemical calculationsKarmakar, Tarak; 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