Dr. Sandeep Kumar Reddy
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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), 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
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), 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
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
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
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
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
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
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
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
Carbonic acid: molecule, crystal and aqueous solution
SK Reddy, S Balasubramanian
Chemical communications 50 (5), 503-514, 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
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
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
Theoretical investigations of candidate crystal structures for β-carbonic acid
SK Reddy, CH Kulkarni, S Balasubramanian
The Journal of chemical physics 134 (12), 2011
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
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
Perylene Diimide-Containing Dynamic Hyper-crosslinked Ionic Porous Organic Polymers: Modulation of Assembly and Gas Storage
SH Goudar, DS Ingle, R Sahu, S Kotha, SK Reddy, DJ Babu, VR Kotagiri
ACS Applied Polymer Materials 5 (3), 2097-2104, 2023
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), 2019
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Articles 1–20