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List of works by Sandeep K Reddy

Carbonic acid: molecule, crystal and aqueous solution

scientific article

Crystal Dynamics in Multi-stimuli-Responsive Entangled Metal-Organic Frameworks

scientific article

Effect of pillar modules and their stoichiometry in 3D porous frameworks of Zn(II) with [Fe(CN)6]3-: high CO2/N2 and CO2/CH4 selectivity.

scientific article published on 13 September 2013

Flexible and rigid amine-functionalized microporous frameworks based on different secondary building units: supramolecular isomerism, selective CO(2) capture, and catalysis

scientific article published on 3 March 2014

Liquid Dimethyl Carbonate: A Quantum Chemical and Molecular Dynamics Study ⬇️

scientific article published on December 13, 2012

Low frequency vibrational modes of room temperature ionic liquids.

scientific article published on 10 February 2011

Many-Body Interactions in Ice.

scientific article

On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice. ⬇️

scientific article

Sodium-carboxylate contact ion pair formation induces stabilization of palmitic acid monolayers at high pH.

scientific article

Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function

scientific article published in December 2017

Theoretical investigations of candidate crystal structures for β-carbonic acid.

scientific article published in March 2011

Three-dimensional metal-organic framework with highly polar pore surface: H2 and CO2 storage characteristics

scientific article published on 20 June 2012

Unusual room temperature CO2 uptake in a fluoro-functionalized MOF: insight from Raman spectroscopy and theoretical studies

scientific article published on 17 July 2012

Vibrational spectra of linear oligomers of carbonic acid: a quantum chemical study.

scientific article published on 2 February 2012

Water structure at the interface of alcohol monolayers as determined by molecular dynamics simulations and computational vibrational sum-frequency generation spectroscopy

scientific article published on 01 January 2019

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