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Physical Chemistry Chemical Physics : PCCP|September 17, 2009
Micro-solvation of the Zn2+ ion-a case studySulagna De, Sk Musharaf Ali, Asraf Ali, et al.ACS Omega|August 29, 2019
Role of Ligand Straining in Complexation of Eu3+-Am3+ Ions by TPEN and PPDEN, Scalar Relativistic DFT Exploration in Conjunction with COSMO-RSSk Musharaf AliDalton Transactions (Cambridge, England : 2003)|August 3, 2017
Enhanced free energy of extraction of Eu3+ and Am3+ ions towards diglycolamide appended calix[4]arene: insights from DFT-D3 and COSMO-RS solvation modelsSk Musharaf AliThe Journal of Chemical Physics|April 22, 2006
Scaling law of shear viscosity in atomic liquid and liquid mixturesSk Musharaf AliJournal of Molecular Graphics & Modelling|April 16, 2026
Micro-structural analysis of aqueous uranyl ions (UO22+) during the course of forward and back extraction in A biphasic system using all atom atomistic simulationsArya Das, Sk Musharaf AliThe Journal of Physical Chemistry. B|December 27, 2023
Uniqueness of Nanoscale Confinement for Fast Water Transport: Effect of Nanotube Diameter and HydrophobicityPooja Sahu, Sk Musharaf AliLangmuir : the ACS Journal of Surfaces and Colloids|June 9, 2022
Tuning Network Connectivity of Silicate and Sodium Borosilicate Glasses by TiO2 for Enhanced Chemical Durability: Molecular Dynamics Simulation InvestigationsPooja Sahu, Sk Musharaf AliThe Journal of Physical Chemistry. B|May 10, 2019
Molecular Dynamics Simulation Studies on Structure, Dynamics, and Thermodynamics of Uranyl Nitrate Solution at Various Acid ConcentrationsArya Das, Sk Musharaf AliPhysical Chemistry Chemical Physics : PCCP|February 9, 2024
Structure and dynamics of dissociated and undissociated forms of nitric acid and their implications in interfacial mass transfer: insights from molecular dynamics simulationsArya Das, Sk Musharaf AliThe Journal of Chemical Physics|February 24, 2018
Molecular dynamics simulation for the test of calibrated OPLS-AA force field for binary liquid mixture of tri-iso-amyl phosphate and n-dodecaneArya Das, Sk Musharaf AliPageof 9