| Year |
Citation |
Score |
| 2019 |
Moberg DR, Li Q, Reddy SK, Paesani F. Water structure at the interface of alcohol monolayers as determined by molecular dynamics simulations and computational vibrational sum-frequency generation spectroscopy. The Journal of Chemical Physics. 150: 034701. PMID 30660151 DOI: 10.1063/1.5072754 |
0.718 |
|
| 2017 |
Reddy SK, Moberg DR, Straight SC, Paesani F. Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function. The Journal of Chemical Physics. 147: 244504. PMID 29289126 DOI: 10.1063/1.5006480 |
0.732 |
|
| 2017 |
Adams EM, Wellen BA, Thiraux R, Reddy SK, Vidalis AS, Paesani F, Allen HC. Sodium-carboxylate contact ion pair formation induces stabilization of palmitic acid monolayers at high pH. Physical Chemistry Chemical Physics : Pccp. PMID 28383584 DOI: 10.1039/C7Cp00167C |
0.507 |
|
| 2017 |
Pham CH, Reddy SK, Chen K, Knight C, Paesani F. Many-Body Interactions in Ice. Journal of Chemical Theory and Computation. PMID 28245359 DOI: 10.1021/Acs.Jctc.6B01248 |
0.535 |
|
| 2016 |
Reddy SK, Straight SC, Bajaj P, Huy Pham C, Riera M, Moberg DR, Morales MA, Knight C, Götz AW, Paesani F. On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice. The Journal of Chemical Physics. 145: 194504. PMID 27875875 DOI: 10.1063/1.4967719 |
0.724 |
|
| 2016 |
Kanoo P, Haldar R, Reddy SK, Hazra A, Bonakala S, Matsuda R, Kitagawa S, Balasubramanian S, Maji TK. Crystal Dynamics in Multi-stimuli-Responsive Entangled Metal-Organic Frameworks. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27611359 DOI: 10.1002/Chem.201602087 |
0.593 |
|
| 2014 |
Haldar R, Reddy SK, Suresh VM, Mohapatra S, Balasubramanian S, Maji TK. Flexible and rigid amine-functionalized microporous frameworks based on different secondary building units: supramolecular isomerism, selective CO(2) capture, and catalysis. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 4347-56. PMID 24590593 DOI: 10.1002/Chem.201303610 |
0.572 |
|
| 2014 |
Reddy SK, Balasubramanian S. Carbonic acid: molecule, crystal and aqueous solution. Chemical Communications (Cambridge, England). 50: 503-14. PMID 24282825 DOI: 10.1039/c3cc45174g |
0.656 |
|
| 2013 |
Hazra A, Bonakala S, Reddy SK, Balasubramanian S, Maji TK. 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. Inorganic Chemistry. 52: 11385-97. PMID 24032436 DOI: 10.1021/Ic401657D |
0.557 |
|
| 2012 |
Reddy SK, Balasubramanian S. Liquid dimethyl carbonate: a quantum chemical and molecular dynamics study. The Journal of Physical Chemistry. B. 116: 14892-902. PMID 23198738 DOI: 10.1021/jp309374m |
0.634 |
|
| 2012 |
Kanoo P, Reddy SK, Kumari G, Haldar R, Narayana C, Balasubramanian S, Maji TK. Unusual room temperature CO2 uptake in a fluoro-functionalized MOF: insight from Raman spectroscopy and theoretical studies. Chemical Communications (Cambridge, England). 48: 8487-9. PMID 22806410 DOI: 10.1039/C2Cc34276F |
0.564 |
|
| 2012 |
Jayaramulu K, Reddy SK, Hazra A, Balasubramanian S, Maji TK. Three-dimensional metal-organic framework with highly polar pore surface: H2 and CO2 storage characteristics. Inorganic Chemistry. 51: 7103-11. PMID 22716229 DOI: 10.1021/Ic202601Y |
0.563 |
|
| 2012 |
Reddy SK, Kulkarni CH, Balasubramanian S. Vibrational spectra of linear oligomers of carbonic acid: a quantum chemical study. The Journal of Physical Chemistry. A. 116: 1638-47. PMID 22239118 DOI: 10.1021/jp209715x |
0.717 |
|
| 2011 |
Reddy SK, Kulkarni CH, Balasubramanian S. Theoretical investigations of candidate crystal structures for β-carbonic acid. The Journal of Chemical Physics. 134: 124511. PMID 21456680 DOI: 10.1063/1.3567307 |
0.727 |
|
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