Malay Kumar Rana

Comparing van der Waals Density Functionals for CO₂ Adsorption in Metal Organic Frameworks

Malay Kumar Rana, Hyun Seung Koh, J.B. Hwang et al. · The Journal of Physical Chemistry C · 2012 · 84 citations

Natural Sciences, Chemistry, Physics +17

Predicting Methane Storage in Open-Metal-Site Metal–Organic Frameworks

Hyun Seung Koh, Malay Kumar Rana, Antek G. Wong‐Foy et al. · The Journal of Physical Chemistry C · 2015 · 73 citations · Full text

Natural Sciences, Chemistry, Materials Science +16

<i>Ab initio</i> and classical molecular dynamics studies of the structural and dynamical behavior of water near a hydrophobic graphene sheet

Malay Kumar Rana, Amalendu Chandra · The Journal of Chemical Physics · 2013 · 68 citations

Natural Sciences, Chemistry, Physics +17

Computer-aided discovery of bis-indole derivatives as multi-target drugs against cancer and bacterial infections: DFT, docking, virtual screening, and molecular dynamics studies

Parth Sarthi Sen Gupta, Haamid R. Bhat, Satyaranjan Biswal et al. · Journal of Molecular Liquids · 2020 · 64 citations

Pharmacy, Chemistry, Medicinal Chemistry +17

Experimental and DFT Study of Transition Metal Doping in a Zn-BDC MOF to Improve Electrical and Visible Light Absorption Properties

Jagannath Panda, Dipankar Singha, Prasan Kumar Panda et al. · The Journal of Physical Chemistry C · 2022 · 60 citations

Natural Sciences, Materials Engineering, Materials Science +17