| On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters … SK Reddy, SC Straight, P Bajaj, C Huy Pham, M Riera, DR Moberg, ... The Journal of chemical physics 145 (19), 194504, 2016 | 241 | 2016 |
| Flexible and Rigid Amine‐Functionalized Microporous Frameworks Based on Different Secondary Building Units: Supramolecular Isomerism, Selective CO2 Capture, and Catalysis R Haldar, SK Reddy, VM Suresh, S Mohapatra, S Balasubramanian, ... Chemistry–A European Journal 20 (15), 4347-4356, 2014 | 113 | 2014 |
| Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function SK Reddy, DR Moberg, SC Straight, F Paesani The Journal of Chemical Physics 147 (24), 244504, 2017 | 90 | 2017 |
| Unusual room temperature CO 2 uptake in a fluoro-functionalized MOF: insight from Raman spectroscopy and theoretical studies P Kanoo, SK Reddy, G Kumari, R Haldar, C Narayana, ... Chemical Communications 48 (68), 8487-8489, 2012 | 76 | 2012 |
| Bulk contributions modulate the sum-frequency generation spectra of water on model sea-spray aerosols SK Reddy, R Thiraux, BAW Rudd, L Lin, T Adel, T Joutsuka, FM Geiger, ... Chem 4 (7), 1629-1644, 2018 | 70 | 2018 |
| Many-body interactions in ice CH Pham, SK Reddy, K Chen, C Knight, F Paesani Journal of Chemical Theory and Computation 13 (4), 1778-1784, 2017 | 69 | 2017 |
| Three-Dimensional Metal–Organic Framework with Highly Polar Pore Surface: H2 and CO2 Storage Characteristics K Jayaramulu, SK Reddy, A Hazra, S Balasubramanian, TK Maji Inorganic Chemistry 51 (13), 7103-7111, 2012 | 65 | 2012 |
| Sodium–carboxylate contact ion pair formation induces stabilization of palmitic acid monolayers at high pH EM Adams, BA Wellen, R Thiraux, SK Reddy, AS Vidalis, F Paesani, ... Physical Chemistry Chemical Physics 19 (16), 10481-10490, 2017 | 56 | 2017 |
| Cooperativity in the stacking of benzene-1, 3, 5-tricarboxamide: the role of dispersion C Kulkarni, SK Reddy, SJ George, S Balasubramanian Chemical Physics Letters 515 (4-6), 226-230, 2011 | 49 | 2011 |
| Low frequency vibrational modes of room temperature ionic liquids SS Sarangi, SK Reddy, S Balasubramanian The Journal of Physical Chemistry B 115 (8), 1874-1880, 2011 | 47 | 2011 |
| Crystal Dynamics in Multi‐stimuli‐Responsive Entangled Metal–Organic Frameworks P Kanoo, R Haldar, SK Reddy, A Hazra, S Bonakala, R Matsuda, ... Chemistry–A European Journal 22 (44), 15864-15873, 2016 | 43 | 2016 |
| Carbonic acid: molecule, crystal and aqueous solution SK Reddy, S Balasubramanian Chemical Communications 50 (5), 503-514, 2014 | 31 | 2014 |
| Liquid dimethyl carbonate: a quantum chemical and molecular dynamics study SK Reddy, S Balasubramanian The Journal of Physical Chemistry B 116 (51), 14892-14902, 2012 | 31 | 2012 |
| Effect of Pillar Modules and Their Stoichiometry in 3D Porous Frameworks of Zn(II) with [Fe(CN)6]3–: High CO2/N2 and CO2/CH4 Selectivity A Hazra, S Bonakala, SK Reddy, S Balasubramanian, TK Maji Inorganic Chemistry 52 (19), 11385-11397, 2013 | 23 | 2013 |
| Theoretical investigations of candidate crystal structures for β-carbonic acid SK Reddy, CH Kulkarni, S Balasubramanian The Journal of chemical physics 134 (12), 124511, 2011 | 14 | 2011 |
| Supramolecular depolymerization in the mixture of two poor solvents: mechanistic insights and modulation of supramolecular polymerization of ionic π‐systems S Kotha, MFJ Mabesoone, D Srideep, R Sahu, SK Reddy, KV Rao Angewandte Chemie 133 (10), 5519-5526, 2021 | 13 | 2021 |
| Vibrational spectra of linear oligomers of carbonic acid: a quantum chemical study SK Reddy, CH Kulkarni, S Balasubramanian The Journal of Physical Chemistry A 116 (6), 1638-1647, 2012 | 12 | 2012 |
| Water structure at the interface of alcohol monolayers as determined by molecular dynamics simulations and computational vibrational sum-frequency generation spectroscopy DR Moberg, Q Li, SK Reddy, F Paesani The Journal of Chemical Physics 150 (3), 034701, 2019 | 7 | 2019 |
| Cobalt Anti-MXenes as Promising Anode Materials for Sodium-Ion Batteries S Banerjee, K Ghosh, SK Reddy, SS Yamijala The Journal of Physical Chemistry C 126 (25), 10298-10308, 2022 | 2 | 2022 |
| Induced Migration of CO2 from Hydrate Cages to Amorphous Solid Water under Ultrahigh Vacuum and Cryogenic Conditions G Vishwakarma, BK Malla, KP Reddy, J Ghosh, S Chowdhury, ... The Journal of Physical Chemistry Letters 14, 2823-2829, 2023 | | 2023 |
Balasubramanian SundaramProfessor, Chemistry & Physics of Materials Unit, JNCASR, Bangalore, IndiaVerified email at jncasr.ac.in
