| Electron Donor−Acceptor Interactions in Ethanol−CO2 Mixtures: An Ab Initio Molecular Dynamics Study of Supercritical Carbon Dioxide M Saharay, S Balasubramanian The Journal of Physical Chemistry B 110 (8), 3782-3790, 2006 | 100 | 2006 |
| Dehydration-induced amorphous phases of calcium carbonate M Saharay, AO Yazaydin, RJ Kirkpatrick The Journal of Physical Chemistry B 117 (12), 3328-3336, 2013 | 98 | 2013 |
| Ab initio molecular-dynamics study of supercritical carbon dioxide M Saharay, S Balasubramanian The Journal of chemical physics 120 (20), 9694-9702, 2004 | 81 | 2004 |
| Evolution of intermolecular structure and dynamics in supercritical carbon dioxide with pressure: An ab initio molecular dynamics study M Saharay, S Balasubramanian The Journal of Physical Chemistry B 111 (2), 387-392, 2007 | 70 | 2007 |
| Molecular Dynamics Modeling of CO2 and Poly (Ethylene Glycol) in Montmorillonite: The Structure of Clay-Polymer Composites and the Incorporation of CO2 M Krishnan, M Saharay, RJ Kirkpatrick The Journal of Physical Chemistry C, 2013 | 49 | 2013 |
| NMR and computational molecular modeling studies of mineral surfaces and interlayer galleries: A review RJ Kirkpatrick, AG Kalinichev, GM Bowers, AÖ Yazaydin, M Krishnan, ... American Mineralogist 100 (7), 1341-1354, 2015 | 41 | 2015 |
| Catalytic mechanism of cellulose degradation by a cellobiohydrolase, CelS M Saharay, H Guo, JC Smith PloS one 5 (10), e12947, 2010 | 41 | 2010 |
| Enhanced molecular multipole moments and solvent structure in supercritical carbon dioxide M Saharay, S Balasubramanian ChemPhysChem 5 (9), 1442-1445, 2004 | 37 | 2004 |
| Onset of orientational order in amorphous calcium carbonate (ACC) upon dehydration M Saharay, RJ Kirkpatrick Chemical Physics Letters 591, 287-291, 2014 | 28 | 2014 |
| Ab initio studies on [bmim][PF6]-CO2 mixture and CO2 clusters BL Bhargava, M Saharay, S Balasubramanian Bulletin of Materials Science 31, 327-334, 2008 | 23 | 2008 |
| Molecular dynamics simulation of protein-mediated biomineralization of amorphous calcium carbonate RS Rani, M Saharay RSC advances 9 (3), 1653-1663, 2019 | 19 | 2019 |
| Ab initio and metadynamics studies on the role of essential functional groups in biomineralization of calcium carbonate and environmental situations M Saharay, RJ Kirkpatrick Physical Chemistry Chemical Physics 16 (48), 26843-26854, 2014 | 17 | 2014 |
| Persistence in an antiferromagnetic Ising system with conserved magnetisation M Saharay, P Sen Physica A: Statistical Mechanics and its Applications 318 (1-2), 243-250, 2003 | 17 | 2003 |
| Water dynamics in hydrated amorphous materials: a molecular dynamics study of the effects of dehydration in amorphous calcium carbonate M Saharay, RJ Kirkpatrick Physical Chemistry Chemical Physics 19 (43), 29594-29600, 2017 | 16 | 2017 |
| Ab initio molecular dynamics investigations of structural, electronic and dynamical properties of water in supercritical carbon dioxide M Saharay, S Balasubramanian Indian Journal of Physics 83, 13-29, 2009 | 14 | 2009 |
| Solubility of Caffeine in Supercritical CO2: A Molecular Dynamics Simulation Study V Reddy, M Saharay The Journal of Physical Chemistry B 123 (45), 9685-9691, 2019 | 12 | 2019 |
| A single-step low cost detection of ground water Hg2+ using mercaptosuccinic acid functionalised silver nanoprism S Banerjee, K Shyamsundar, M Saharay, S Roy Environmental Nanotechnology, Monitoring & Management 17, 100637, 2022 | 8 | 2022 |
| Correlated Response of Protein Side-Chain Fluctuations and Conformational Entropy to Ligand Binding RT Rajeshwar, M Saharay, JC Smith, M Krishnan JOURNAL OF PHYSICAL CHEMISTRY B 125 (34), 9641-9651, 2021 | 6 | 2021 |
| Structural and Biophysical Characterization of Purified Recombinant Arabidopsis thaliana's Alternative Oxidase 1A (rAtAOX1A): Interaction With Inhibitor(s) and … TV Sankar, M Saharay, D Santhosh, A Vishwakarma, K Padmasree Frontiers in plant science 13, 871208, 2022 | 4 | 2022 |
| CelS-catalyzed processive cellulose degradation and cellobiose extraction for the production of bioethanol SK Penneru, M Saharay, M Krishnan Journal of Chemical Information and Modeling 62 (24), 6628-6638, 2022 | 4 | 2022 |
