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1304 Publications
Department of Chemistry
IIT Hyderabad
Head of Department
Surendra Kumar Martha
+91 (40) 2301 6015
head@chy.iith.ac.in
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Publications - 1304
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Profiles (25)
Publications (1304)
Network (43)
Publications (1988)
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Articles
The N(4S) + O2(X3Σ - G) ↔ O(3P) + NO(X2Π) reaction: Thermal and vibrational relaxation rates for the 2A′, 4A′ and 2A′′ states
J.C. San Vicente Veliz
,
Debasish Koner
,
...
,
M. Meuwly
(5 authors)
2020 | Royal Society of Chemistry
Articles
Molybdenum-catalyzed oxidative depolymerization of alkali lignin: Selective production of Vanillin
S. Rawat
,
P. Gupta
,
...
,
Natte Kishore
and
A. Narani
(6 authors)
2020 | Elsevier B.V.
Reviews
High-dimensional potential energy surfaces for molecular simulations: From empiricism to machine learning
O.T. Unke
,
Debasish Koner
,
...
,
M. Meuwly
(5 authors)
2020 | IOP Publishing Ltd
Articles
Ionic conductance and viscous drag in water-in-salt electrolytes for lithium and sodium ion batteries and supercapacitors
T.R. Kartha
and
Bhabani S. Mallik
2020 | Elsevier Ltd
Articles
Conformational Free-Energy Landscapes of Alanine Dipeptide in Hydrated Ionic Liquids from Enhanced Sampling Methods
S. Dasari
and
Bhabani S. Mallik
2020 | American Chemical Society
Articles
Structure and Conformational Response of Pure and Lithium-Doped Ionic Liquids to Pressure Alterations from Molecular Dynamics Simulations
T.D.N. Reddy
and
Bhabani S. Mallik
2020 | American Chemical Society
Articles
Ionic Dynamics of Hydroxylammonium Ionic Liquids: A Classical Molecular Dynamics Simulation Study
T.D.N. Reddy
and
Bhabani S. Mallik
2020 | American Chemical Society
Articles
Thermophysical Properties and Angular Jump Dynamics of Water: A Comparative DFT and DFT-Dispersion-Based Molecular Dynamics Study
A. Priyadarsini
,
S. Dasari
and
Bhabani S. Mallik
2020 | American Chemical Society
Articles
Solubility and solvation free energy of a cardiovascular drug, LASSBio-294, in ionic liquids: A computational study
S. Dasari
and
Bhabani S. Mallik
2020 | Elsevier B.V.
Articles
Trinuclear copper and mononuclear nickel complexes of oxime containing Schiff bases: Single crystal X-ray structure, catecholase and phenoxazinone synthase activity, catalytic study for the homocoupling of benzyl amines
S. Sengupta
,
S. Khan
,
...
,
Tarun Kanti Panda
and
S. Naskar
(6 authors)
2020 | Elsevier Ltd
Showing 611-620 of 1988 results
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