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Ravichandar Babarao

Oak Ridge National Laboratory

20

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Phosphoric Acid Loaded Azo (−N═N−) Based Covalent Organic Framework for Proton Conduction

2014 Journal of the American Chemical Society
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Strategies toward enhanced low-pressure volumetric hydrogen storage in nanoporous cryoadsorbents

2013 Langmuir
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Computer-Aided Design of Interpenetrated Tetrahydrofuran-Functionalized 3D Covalent Organic Frameworks for CO2 Capture

2012 Crystal Growth & Design
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Functionalizing Porous Aromatic Frameworks with Polar Organic Groups for High-Capacity and Selective CO2 Separation: A Molecular Simulation Study

2011 Langmuir
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Cation characterization and CO2 capture in Li+-exchanged metal-organic frameworks: From first-principles modeling to molecular simulation

2011 Industrial & Engineering Chemistry Research
- Ravichandar Babarao
- Jianwen Jiang
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Effect of Pore Topology and Accessibility on Gas Adsorption Capacity in Zeolitic−Imidazolate Frameworks: Bringing Molecular Simulation Close to Experiment

2011 Journal of Physical Chemistry C
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Metal−Organic Framework MIL-101 for Adsorption and Effect of Terminal Water Molecules: From Quantum Mechanics to Molecular Simulation

2010 Langmuir
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A Highly Hydrophobic Metal−Organic Framework Zn(BDC)(TED)0.5 for Adsorption and Separation of CH3OH/H2O and CO2/CH4: An Integrated Experimental and Simulation Study

2010 Journal of Physical Chemistry C
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Molecular Insight into Adsorption and Diffusion of Alkane Isomer Mixtures in Metal−Organic Frameworks

2009 Journal of Physical Chemistry B
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Atomistic insight into adsorption, mobility, and vibration of water in ion-exchanged zeolite-like metal-organic frameworks

2009 ACS Nano
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Citations (26)