Naomi Rom - List of Publications (2017)

1. “Decomposition of Condensed Phase Energetic Materials: Interplay between Uni- and Bimolecular Mechanisms”, D. Furman, R. Kosloff, F. Dubnikova, S. V. Zybin, W. A. Goddard, III, N. Rom, B. Hirshberg, and Y. Zeiri, J. Am. Chem. Soc. 2014, 136, 4192-4200.

2. "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, S.V. Zybin, W.A. Goddard, III, and R. Kosloff, J. Phys. Chem. C 2013, 117, 21043−21054.

3. "Density-Dependent Liquid Nitromethane Decomposition: Molecular Dynamics Simulations Based on ReaxFF", N. Rom, S.V. Zybin, A.C.T. van Duin, W.A. Goddard, Y. Zeiri, G. Katz, and R. Kosloff, J. Phys. Chem. A 2011, 115, 10181–10202.

4. “Shifted-contour auxiliary-field Monte Carlo for molecular electronic structure”, N. Rom, E. Fattal, A. K. Gupta, E. A. Carter and D. Neuhauser, J. Chem. Phys. 1998, 109, 8241.

5. “Shifted-contour auxiliary-field Monte Carlo: Circumventing the sign difficulty for electronic-structure calculations”, N. Rom, D.M. Charutz, and D. Neuhauser, Chem. Phys. Lett. 1997, 270, 382-386.

6. “Scattering matrix elements by a time independent wave packet complex scaling formalism”, N. Rom, J. W. Pang, and D. Neuhauser, J. Chem. Phys. 1996, 105, 10436.

7. “Transition-state resonances by complex scaling – H+H2 and H+MuH”, N. Rom and N. Moiseyev, J. Phys. Chem. 1994, 98, 3398-3406.

8. “Absorbing boundary conditions by the partial integration exterior scaling method”, N. Rom and N. Moiseyev, J. Chem. Phys.1993, 99, 7703.

9. “Cumulative reaction probability by the complex coordinate scattering theory”, N. Rom, V. Ryaboy and N. Moiseyev, J. Chem. Phys. 1993, 98, 6327.

10.“Thermal rate constants of multi-mode systems for the price of one: aziridine”, N. Rom, V. Ryaboy and N. Moiseyev, Chem. Phys. Lett. 1993, 204, 175