| Improved prediction of heats of formation of energetic materials using quantum mechanical calculations EFC Byrd, BM Rice The Journal of Physical Chemistry A 110 (3), 1005-1013, 2006 | 655 | 2006 |
| A quantum mechanical investigation of the relation between impact sensitivity and the charge distribution in energetic molecules BM Rice, JJ Hare The Journal of Physical Chemistry A 106 (9), 1770-1783, 2002 | 612 | 2002 |
| Predicting heats of formation of energetic materials using quantum mechanical calculations BM Rice, SV Pai, J Hare Combustion and flame 118 (3), 445-458, 1999 | 452 | 1999 |
| Predicting trends in rate parameters for self-diffusion on FCC metal surfaces PM Agrawal, BM Rice, DL Thompson Surface Science 515 (1), 21-35, 2002 | 414 | 2002 |
| Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory R Bukowski, J Sadlej, B Jeziorski, P Jankowski, K Szalewicz, ... The Journal of chemical physics 110 (8), 3785-3803, 1999 | 345 | 1999 |
| Density functional calculations of bond dissociation energies for NO2 scission in some nitroaromatic molecules BM Rice, S Sahu, FJ Owens Journal of Molecular Structure: THEOCHEM 583 (1-3), 69-72, 2002 | 299 | 2002 |
| Accurate predictions of crystal densities using quantum mechanical molecular volumes BM Rice, JJ Hare, EFC Byrd The Journal of Physical Chemistry A 111 (42), 10874-10879, 2007 | 245 | 2007 |
| Ab Initio and Nonlocal Density Functional Study of 1,3,5-Trinitro-s-triazine (RDX) Conformers BM Rice, CF Chabalowski The Journal of Physical Chemistry A 101 (46), 8720-8726, 1997 | 207 | 1997 |
| Ab Initio Study of Compressed 1, 3, 5, 7-Tetranitro-1, 3, 5, 7-tetraazacyclooctane (HMX), Cyclotrimethylenetrinitramine (RDX), 2, 4, 6, 8, 10, 12-Hexanitrohexaazaisowurzitane … EFC Byrd, BM Rice The Journal of Physical Chemistry C 111 (6), 2787-2796, 2007 | 196 | 2007 |
| Near-neighbor calculations using a modified cell-linked list method W Mattson, BM Rice Computer Physics Communications 119 (2-3), 135-148, 1999 | 195 | 1999 |
| Predicting structure of molecular crystals from first principles R Podeszwa, BM Rice, K Szalewicz Physical review letters 101 (11), 115503, 2008 | 176 | 2008 |
| Intermolecular potential for the hexahydro-1, 3, 5-trinitro-1, 3, 5-s-triazine crystal (RDX): A crystal packing, Monte Carlo, and molecular dynamics study DC Sorescu, BM Rice, DL Thompson The Journal of Physical Chemistry B 101 (5), 798-808, 1997 | 176 | 1997 |
| Theoretical studies of the hydrostatic compression of RDX, HMX, HNIW, and PETN crystals DC Sorescu, BM Rice, DL Thompson The Journal of Physical Chemistry B 103 (32), 6783-6790, 1999 | 173 | 1999 |
| Theoretical predictions of energetic molecular crystals at ambient and hydrostatic compression conditions using dispersion corrections to conventional density functionals (DFT-D) DC Sorescu, BM Rice The Journal of Physical Chemistry C 114 (14), 6734-6748, 2010 | 169 | 2010 |
| Evaluation of electrostatic descriptors for predicting crystalline density BM Rice, EFC Byrd Journal of computational chemistry 34 (25), 2146-2151, 2013 | 142 | 2013 |
| Simulations of high-pressure phases in RDX LB Munday, PW Chung, BM Rice, SD Solares The Journal of Physical Chemistry B 115 (15), 4378-4386, 2011 | 128 | 2011 |
| Isothermal− Isobaric Molecular Dynamics Simulations of 1, 3, 5, 7-Tetranitro-1, 3, 5, 7-tetraazacyclooctane (HMX) Crystals DC Sorescu, BM Rice, DL Thompson The Journal of Physical Chemistry B 102 (35), 6692-6695, 1998 | 127 | 1998 |
| The multiscale coarse-graining method: Assessing its accuracy and introducing density dependent coarse-grain potentials S Izvekov, PW Chung, BM Rice The Journal of chemical physics 133 (6), 2010 | 124 | 2010 |
| Molecular dynamics study of the melting of nitromethane PM Agrawal, BM Rice, DL Thompson The Journal of chemical physics 119 (18), 9617-9627, 2003 | 121 | 2003 |
| Theoretical studies of solid nitromethane DC Sorescu, BM Rice, DL Thompson The Journal of Physical Chemistry B 104 (35), 8406-8419, 2000 | 117 | 2000 |
