Decomposition of condensed phase energetic materials: Interplay between uni-and bimolecular mechanisms D Furman, R Kosloff, F Dubnikova, SV Zybin, WA Goddard III, N Rom, ... Journal of the American Chemical Society 136 (11), 4192-4200, 2014 | 156 | 2014 |
Density-dependent liquid nitromethane decomposition: molecular dynamics simulations based on ReaxFF N Rom, SV Zybin, ACT van Duin, WA Goddard III, Y Zeiri, G Katz, ... The Journal of Physical Chemistry A 115 (36), 10181-10202, 2011 | 148 | 2011 |
First-principles-based reaction kinetics for decomposition of hot, dense liquid TNT from ReaxFF multiscale reactive dynamics simulations N Rom, B Hirshberg, Y Zeiri, D Furman, SV Zybin, WA Goddard III, ... The Journal of Physical Chemistry C 117 (41), 21043-21054, 2013 | 76 | 2013 |
Shifted-contour auxiliary-field Monte Carlo: circumventing the sign difficulty for electronic-structure calculations N Rom, DM Charutz, D Neuhauser Chemical physics letters 270 (3-4), 382-386, 1997 | 73 | 1997 |
Tunneling rates in bound systems using smooth exterior complex scaling within the framework of the finite basis set approximation N Rom, E Engdahl, N Moiseyev The Journal of Chemical Physics 93 (5), 3413-3419, 1990 | 73 | 1990 |
Optical potentials by the complex coordinate method N Rom, N Lipkin, N Moiseyev Chemical physics 151 (2), 199-204, 1991 | 58 | 1991 |
Tunneling rates in a two‐dimensional symmetric double‐well potential surface by the exterior scaling procedure N Rom, N Moiseyev, R Lefebvre The Journal of chemical physics 95 (5), 3562-3569, 1991 | 36 | 1991 |
Shifted-contour auxiliary-field Monte Carlo for molecular electronic structure N Rom, E Fattal, AK Gupta, EA Carter, D Neuhauser The Journal of chemical physics 109 (19), 8241-8248, 1998 | 34 | 1998 |
Thermal rate constants in collinear atom transfer reactions by optimizing the position of the reactants/products dividing surface N Rom, N Moiseyev, R Lefebvre The Journal of chemical physics 96 (11), 8307-8313, 1992 | 16 | 1992 |
Absorbing boundary conditions by the partial integration exterior scaling method N Rom, N Moiseyev The Journal of chemical physics 99 (10), 7703-7708, 1993 | 14 | 1993 |
Cumulative reaction probability by the complex coordinate scattering theory N Rom, V Ryaboy, N Moiseyev The Journal of chemical physics 98 (8), 6327-6331, 1993 | 10 | 1993 |
Transition State Resonances by Complex Scaling: H+ H2 and H+ MuH N Rom, N Moiseyev The Journal of Physical Chemistry 98 (13), 3398-3406, 1994 | 9 | 1994 |
Scattering matrix elements by a time independent wave packet complex scaling formalism N Rom, JW Pang, D Neuhauser The Journal of chemical physics 105 (23), 10436-10443, 1996 | 6 | 1996 |
Thermal rate constants of multi-mode systems for the price of one: aziridine N Rom, V Ryaboy, N Moiseyev Chemical physics letters 204 (1-2), 175-182, 1993 | 6 | 1993 |