| 1 |
Transferable Reactive Force Fields: Extensions of ReaxFF-lg to Nitromethane
Larentzos JP, Rice BM
Journal of Physical Chemistry A, 121(9), 2001, 2017 |
| 2 |
Theoretical Study of Shocked Formic Acid: Born-Oppenheimer MD Calculations of the Shock Hugoniot and Early-Stage Chemistry
Rice BM, Byrd EFC
Journal of Physical Chemistry B, 120(8), 1711, 2016 |
| 3 |
Non-equilibrium molecular dynamics simulation study of heat transport in hexahydro-1,3,5-trinitro-s-triazine (RDX)
Izvekov S, Chung PW, Rice BM
International Journal of Heat and Mass Transfer, 54(25-26), 5623, 2011 |
| 4 |
Assessment of Dispersion Corrected Atom Centered Pseudopotentials: Application to Energetic Molecular Crystals
Balu R, Byrd EFC, Rice BM
Journal of Physical Chemistry B, 115(5), 803, 2011 |
| 5 |
Simulations of High-Pressure Phases in RDX
Munday LB, Chung PW, Rice BM, Solares SD
Journal of Physical Chemistry B, 115(15), 4378, 2011 |
| 6 |
A Comparison of Methods To Predict Solid Phase Heats of Formation of Molecular Energetic Salts
Byrd EFC, Rice BM
Journal of Physical Chemistry A, 113(1), 345, 2009 |
| 7 |
An Investigation of KS-DFT Electron Densities used in Atoms-in-Molecules Studies of Energetic Molecules
Yau AD, Byrd EFC, Rice BM
Journal of Physical Chemistry A, 113(21), 6166, 2009 |
| 8 |
Molecular dynamics simulations of the melting mechanisms of perfect and imperfect crystals of dimethylnitramine
Zheng LQ, Rice BM, Thompson DL
Journal of Physical Chemistry B, 111(11), 2891, 2007 |
| 9 |
Improved prediction of heats of formation of energetic materials using quantum mechanical calculations
Byrd EFC, Rice BM
Journal of Physical Chemistry A, 110(3), 1005, 2006 |
| 10 |
Molecular dynamics simulations of the melting of 1,3,3-trinitroazetidine
Agrawal PM, Rice BM, Zheng LQ, Velardez GF, Thompson DL
Journal of Physical Chemistry B, 110(11), 5721, 2006 |
