Publications

P. P. Dholabhai, R. Atta-Fynn, and A. K. Ray* “An ab initio Study of the Adsorption and Dissociation of Molecular Oxygen on the (0001) Surface of Double Hexagonal Close Packed Americium” Physica B: Condensed Matter, 403, 4269-4280 (2008).

P. P. Dholabhai, R. Atta-Fynn, and A. K. Ray* “A Density Functional Study of Atomic Hydrogen and Oxygen Chemisorption on the Relaxed (0001) Surface of Double Hexagonal Close Packed Americium” The European Physical Journal B, 61, 261-270 (2008).

P. P. Dholabhai and A. K. Ray* “A Density Functional Study of Carbon Monoxide Adsorption on (100) Surface of γ-Uranium” Journal of Alloys and Compounds, 444-445, 356-362 (2007).

P. P. Dholabhai and A. K. Ray* “A Density Functional Study of the Adsorption of Carbon and Oxygen on (100) Surface of γ-Uranium” Physica Scripta, 75, 506-514 (2007).

P. P. Dholabhai and A. K. Ray* “An ab initio Study of Charge State Effects on the Use of Ag2+ and Ag2 for Catalytic Oxidation of Carbon Monoxide” Journal of Theoretical and Computational Chemistry, 4, 1075-1091 (2005).