| 1 |
Predicted Anisotropic Thermal Conductivity for Crystalline 1,3,5-Triamino-2,4,6-trinitobenzene (TATB): Temperature and Pressure Dependence and Sensitivity to Intramolecular Force Field Terms
Kroonblawd MP, Sewell TD
Propellants Explosives Pyrotechnics, 41(3), 502, 2016 |
| 2 |
A molecular dynamics study of the relaxation of an excited molecule in crystalline nitromethane
Rivera-Rivera LA, Siavosh-Haghighi A, Sewell TD, Thompson DL
Chemical Physics Letters, 608, 120, 2014 |
| 3 |
Molecular dynamics study of the effect of pressure on the terahertz-region infrared spectrum of crystalline pentaerythritol tetranitrate
Pereverzev A, Sewell TD
Chemical Physics Letters, 515(1-3), 32, 2011 |
| 4 |
A Molecular Dynamics Study of Classical Vibrational Spectra in Hydrostatically Compressed Crystalline Nitromethane
Siavosh-Haghighi A, Dawes R, Sewell TD, Thompson DL
Journal of Physical Chemistry B, 114(51), 17177, 2010 |
| 5 |
A quantum chemical method for calculating vibrational line shifts in diatomic fluids
Coe JD, Sewell TD, Shaw MS, Kober EM
Chemical Physics Letters, 464(4-6), 265, 2008 |
| 6 |
Polarizable and nonpolarizable force fields for alkyl nitrates
Borodin O, Smith GD, Sewell TD, Bedrov D
Journal of Physical Chemistry B, 112(3), 734, 2008 |
| 7 |
First-Principles-Based Calculations of Vibrational Normal Modes in Polyatomic Materials with Translational Symmetry: Application to PETN Molecular Crystal
Velizhanin KA, Kilina S, Sewell TD, Piryatinski A
Journal of Physical Chemistry B, 112(42), 13252, 2008 |
| 8 |
Modeling non-equilibrium morphologies in specific polymeric materials
Welch PM, Rasmussen KO, Chitanvis SM, Lookman T, Sewell TD
Journal of Polymer Science Part B: Polymer Physics, 44(18), 2605, 2006 |
| 9 |
Vibrational analysis of the inelastic neutron scattering spectrum of tetramethylammonium borohydride by molecular dynamics simulations and electronic structure calculations
Eckert J, Sewell TD, Kress JD, Kober EM, Wang LL, Olah G
Journal of Physical Chemistry A, 108(51), 11369, 2004 |
| 10 |
A molecular dynamics simulation study of elastic properties of HMX
Sewell TD, Menikoff R, Bedrov D, Smith GD
Journal of Chemical Physics, 119(14), 7417, 2003 |
