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List of works by Sk Musharaf Ali

Alkali Metal Ion Partitioning with Calix[4]arene-benzo-crown-6 Ionophore in Acidic Medium: Insights from a Experiments, Statistical Mechanical Framework and Molecular Dynamics Simulations.

scientific article published on 31 January 2018

Breakdown of continuum model for water transport and desalination through ultrathin graphene nanopores: insights from molecular dynamics simulations

scientific article published on 18 September 2019

DFT and MD simulation supplemented experiments for isotopic fractionation of zinc compounds using a macrocyclic crown ether appended polymeric resin

scientific article published on 23 June 2020

Extraction of Gd3+ and UO22+ Ions Using Polystyrene Grafted Dibenzo Crown Ether (DB18C6) with Octanol and Nitrobenzene: A Molecular Dynamics Study.

scientific article published on 27 December 2017

Highly Efficient N-Pivot Tripodal Diglycolamide Ligands for Trivalent f-Cations: Synthesis, Extraction, Spectroscopy, and Density Functional Theory Studies

scientific article published on 10 June 2019

Insight into Speciation and Electrochemistry of Uranyl Ions in Deep Eutectic Solvents

scientific article published on 19 December 2019

Insight into the Complexation of Actinides and Lanthanides with Diglycolamide Derivatives: Experimental and Density Functional Theoretical Studies.

scientific article published on 3 March 2017

Ligand architectural effect on coordination, bonding, interaction, and selectivity of Am(iii) and Ln(iii) ions with bitopic ligands: synthesis, solvent extraction, and DFT studies

scientific article published on 30 June 2020

Molecular Dynamics Simulation Studies on Structure, Dynamics, and Thermodynamics of Uranyl Nitrate Solution at Various Acid Concentrations

scientific article published on 17 May 2019

Molecular Dynamics Simulation of Amorphous SiO2, B2O3, Na2O-SiO2, Na2O-B2O3, and Na2O-B2O3-SiO2 Glasses with Variable Compositions and with Cs2O and SrO Dopants

scientific article published on 11 July 2019

Molecular Facts on the Structure and Dynamics of Electrolyte Species in Cu-Cl Cycle for Hydrogen Generation: An Insight from Molecular Dynamic Simulations.

scientific article published on 23 March 2018

Molecular dynamics simulation for the test of calibrated OPLS-AA force field for binary liquid mixture of tri-iso-amyl phosphate and n-dodecane

scientific article published on 01 February 2018

Reduction in Coordination Number of Eu(III) on Complexation with Pyrazine Mono- and Di-Carboxylates in Aqueous Medium

scientific article published on 31 July 2019

Structure, Dynamics, and Adsorption of Charged Guest within the Nanocavity of Polymer-Functionalized Neutral Macrocyclic Host

scientific article published on 11 June 2018

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