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The Journal of Physical Chemistry. B|January 5, 2007
Structural and dynamic properties of concentrated alkali halide solutions: a molecular dynamics simulation studyHao Du, Jayendran C Rasaiah, Jan D MillerThe Journal of Physical Chemistry. B|March 10, 2021
Light-Nucleotide versus Ion-Nucleotide Interactions for Single-Nucleotide ResolutionMohsen Farshad, Jayendran C RasaiahThe Journal of Physical Chemistry. B|January 10, 2020
Reverse Translocation of Nucleotides through a Carbon NanotubeMohsen Farshad, Jayendran C RasaiahThe Journal of Chemical Physics|December 10, 2008
Reaction coordinates for electron transfer reactionsJayendran C Rasaiah, Jianjun ZhuThe Journal of Chemical Physics|October 7, 2011
Proton transfer and the mobilities of the H+ and OH- ions from studies of a dissociating model for waterSong Hi Lee, Jayendran C RasaiahACS Omega|April 27, 2022
Exchange Functionals and Basis Sets for Density Functional Theory Studies of Water Splitting on Selected ZnO Nanocluster CatalystsDuwage C Perera, Jayendran C RasaiahThe Journal of Chemical Physics|October 5, 2013
Proton transfer and the diffusion of H+ and OH- ions along water wiresSong Hi Lee, Jayendran C RasaiahACS Omega|September 11, 2023
Computational Study of H2O Adsorption, Hydrolysis, and Water Splitting on (ZnO)3 Nanoclusters Deposited on Graphene and Graphene OxidesDuwage C Perera, Jayendran C RasaiahThe Journal of Physical Chemistry. B|January 19, 2021
Water-Mediated Interactions Determine Helix Formation of Peptides in Open NanotubesDylan Suvlu, D Thirumalai, Jayendran C RasaiahThe Journal of Chemical Physics|August 3, 2012
Entropy of single-file water in (6,6) carbon nanotubesAparna Waghe, Jayendran C Rasaiah, Gerhard HummerPageof 53