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Moumita Saharay
Moumita Saharay
Assistant Professor, School of Life Sciences, University of Hyderabad
Verified email at uohyd.ac.in - 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
1012006
Dehydration-induced amorphous phases of calcium carbonate
M Saharay, AO Yazaydin, RJ Kirkpatrick
The Journal of Physical Chemistry B 117 (12), 3328-3336, 2013
882013
Ab initio molecular-dynamics study of supercritical carbon dioxide
M Saharay, S Balasubramanian
The Journal of chemical physics 120 (20), 9694-9702, 2004
812004
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
702007
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
432013
Catalytic mechanism of cellulose degradation by a cellobiohydrolase, CelS
M Saharay, H Guo, JC Smith
PloS one 5 (10), e12947, 2010
402010
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
392015
Enhanced molecular multipole moments and solvent structure in supercritical carbon dioxide
M Saharay, S Balasubramanian
ChemPhysChem 5 (9), 1442-1445, 2004
352004
Onset of orientational order in amorphous calcium carbonate (acc) upon dehydration
M Saharay, RJ Kirkpatrick
Chemical Physics Letters 591, 287-291, 2014
272014
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
222008
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
182003
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
182003
Molecular dynamics simulation of protein-mediated biomineralization of amorphous calcium carbonate
RS Rani, M Saharay
RSC advances 9 (3), 1653-1663, 2019
162019
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
162014
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
142009
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
132017
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
102019
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
52021
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
42022
Correlated Response of Protein Side-Chain Fluctuations and Conformational Entropy to Ligand Binding
MK Rajitha Rajeshwar T, Moumita Saharay, Jeremy C. Smith
The Journal of Physical Chemistry B 125 (34), 9641–9651, 2021
42021
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