Moumita Saharay
Moumita Saharay
Assistant Professor, School of Life Sciences, University of Hyderabad
Verified email at chemistry.msu.edu - Homepage
Title
Cited by
Cited by
Year
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
822006
Ab initio molecular-dynamics study of supercritical carbon dioxide
M Saharay, S Balasubramanian
The Journal of chemical physics 120 (20), 9694-9702, 2004
752004
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
572007
Dehydration-Induced Amorphous Phases of Calcium Carbonate
M Saharay, AO Yazaydin, RJ Kirkpatrick
The Journal of Physical Chemistry B 117 (12), 3328-3336, 2013
522013
Catalytic mechanism of cellulose degradation by a cellobiohydrolase, CelS
M Saharay, H Guo, JC Smith
PloS one 5 (10), e12947, 2010
322010
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
302013
Enhanced molecular multipole moments and solvent structure in supercritical carbon dioxide
M Saharay, S Balasubramanian
ChemPhysChem 5 (9), 1442-1445, 2004
302004
NMR and computational molecular modeling studies of mineral surfaces and interlayer galleries: A review
RJ Kirkpatrick, AG Kalinichev, GM Bowers, A÷ Yazaydin, M Krishnan, ...
American Mineralogist 100 (7), 1341-1354, 2015
242015
Ab initio studies on [bmim][PF 6]-CO 2 mixture and CO 2 clusters
BL Bhargava, M Saharay, S Balasubramanian
Bulletin of Materials Science 31 (3), 327-334, 2008
202008
Onset of Orientational Order in Amorphous Calcium Carbonate (ACC) upon Dehydration
M Saharay, RJ Kirkpatrick
Chemical Physics Letters 591, 287-291, 2014
192014
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
172003
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
172003
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 (1), 13-29, 2009
132009
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
82014
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
62017
Solubility of Caffeine in Supercritical CO2 : A Molecular Dynamics Simulation Study
V Reddy, M Saharay
The Journal of Physical Chemistry B, 2019
22019
Molecular dynamics simulation of protein-mediated biomineralization of amorphous calcium carbonate
RS Rani, M Saharay
RSC Advances 9 (3), 1653-1663, 2019
22019
QM/MM Analysis of Cellulase Active Sites and Actions of the Enzymes on Substrates
M Saharay, HB Guo, JC Smith, H Guo
ACS Symposium Series 1052, 2010
22010
Computational modeling of mesoscale organic-inorganic composites: A molecular dynamics study of carbon dioxide sorption and retention by polyethylene glycol (PEG†…
M Krishnan, M Saharay, JR Kirkpatrick
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013
2013
Molecular dynamics simulation of amorphous calcium carbonate (ACC)
M Saharay, AO Yazaydin, RJ Kirkpatrick
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013
2013
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