J Daniel Gezelter

J Daniel Gezelter

University of Notre Dame - Notre Dame / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 1442126
person_outline J Daniel Gezelter's MOST POPULAR ARTICLES
1-) Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics The Journal of chemical physics 124 (23), 2006
2-) Size-dependent spontaneous alloying of Au− Ag nanoparticles Journal of the American Chemical Society 124 (40), 11989-11996, 2002
3-) Evidence for stepwise dissociation dynamics in acetone at 248 and 193 nm The Journal of chemical physics 102 (11), 4447-4460, 1995
4-) Calculating the hopping rate for self-diffusion on rough potential energy surfaces: Cage correlations The Journal of chemical physics 107 (17), 6867-6876, 1997
5-) Can imaginary instantaneous normal mode frequencies predict barriers to self-diffusion? The Journal of chemical physics 107 (12), 4618-4627, 1997