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The Journal of Physical Chemistry. A|July 13, 2006
Cyclodehydrogenation reactions to cyclopentafused polycyclic aromatic hydrocarbonsAngela VioliThe Journal of Physical Chemistry. B|July 25, 2012
Exploring the potential of doped zero-dimensional cages for proton transfer in fuel cells: a computational studyManoj V Mane, Arun Venkatnathan, Kamalika Ghatak, et al.Small (Weinheim an Der Bergstrasse, Germany)|January 21, 2026
Strategic Screening of Dopants for Na0.67Ni0.33Mn0.67O2 Cathodes: A Computational Roadmap for Sodium-Ion Battery InnovationNayan Dey, Arun Venkatnathan, Satishchandra Ogale, et al.The Journal of Chemical Physics|May 16, 2012
Raman spectra of vibrational and librational modes in methane clathrate hydrates using density functional theoryK R Ramya, G V Pavan Kumar, Arun VenkatnathanJournal of Molecular Modeling|July 24, 2012
Characterization of the structures and dynamics of phosphoric acid doped benzimidazole mixtures: a molecular dynamics studyMinal More, Swagata Pahari, Sudip Roy, et al.Soft Matter|July 13, 2018
Probing translational and rotational dynamics in hydrophilic/hydrophobic anion based imidazolium ionic liquid-water mixturesPraveen Kumar, Prabhat Prakash, K R Ramya, et al.The Journal of Physical Chemistry. B|March 4, 2022
Effect of Concentration and Temperature on the Structure and Ion Transport in Diglyme-Based Sodium-Ion ElectrolyteShylendran Ardhra, Prabhat Prakash, Rabin Siva Dev, et al.The Journal of Physical Chemistry. B|July 4, 2014
Interplay of phase separation, tail aggregation, and micelle formation in the nanostructured organization of hydrated imidazolium ionic liquidK R Ramya, Praveen Kumar, Ashish Kumar, et al.The Journal of Physical Chemistry. B|March 11, 2006
Insights into the effect of combustion-generated carbon nanoparticles on biological membranes: a computer simulation studyRakwoo Chang, Angela VioliMethods in Molecular Biology (Clifton, N.J.)|September 15, 2012
Free energy calculation of permeant-membrane interactions using molecular dynamics simulationsPaolo Elvati, Angela VioliPageof 7