J. Daniel Gezelter

Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics

Christopher J. Fennell, J. Daniel Gezelter · The Journal of Chemical Physics · 2006 · 651 citations

Lattice Summation Techniques, Engineering, Other Pairwise Methods +16

Size-Dependent Spontaneous Alloying of Au−Ag Nanoparticles

Tomohiro Shibata, Bruce A. Bunker, Zhenyuan Zhang et al. · Journal of the American Chemical Society · 2002 · 443 citations

Materials Science, Engineering, Nanocluster +13

Evidence for stepwise dissociation dynamics in acetone at 248 and 193 nm

Simon W. North, David A. Blank, J. Daniel Gezelter et al. · The Journal of Chemical Physics · 1995 · 205 citations

Engineering, Chemistry, Spectra-structure Correlation +18

Calculating the hopping rate for self-diffusion on rough potential energy surfaces: Cage correlations

Eran Rabani, J. Daniel Gezelter, B. J. Berne · The Journal of Chemical Physics · 1997 · 132 citations

Engineering, Fluid Mechanics, Simple Liquid +18

Can imaginary instantaneous normal mode frequencies predict barriers to self-diffusion?

J. Daniel Gezelter, Eran Rabani, B. J. Berne · The Journal of Chemical Physics · 1997 · 110 citations

Solid Phase, Engineering, Physics +14