검색결과 : 13건
| No. | Article |
|---|---|
| 1 |
A Self-Starting Method for Obtaining Analytic Potential-Energy Surfaces from ab Initio Electronic Structure Calculations Agrawal PM, Malshe M, Narulkar R, Raff LM, Hagan M, Bukkapatnum S, Komanduri R Journal of Physical Chemistry A, 113(5), 869, 2009 |
| 2 |
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 |
| 3 |
Molecular dynamics simulations of hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX) using a combined Sorescu-Rice-Thompson AMBER force field Agrawal PM, Rice BM, Zheng LQ, Thompson DL Journal of Physical Chemistry B, 110(51), 26185, 2006 |
| 4 |
Molecular dynamics study of the effects of voids and pressure in defect-nucleated melting simulations Agrawal PM, Rice BM, Thompson DL Journal of Chemical Physics, 118(21), 9680, 2003 |
| 5 |
Molecular dynamics study of the melting of nitromethane Agrawal PM, Rice BM, Thompson DL Journal of Chemical Physics, 119(18), 9617, 2003 |
| 6 |
Photodissociation of methyl nitrite on Ag(111): Simulation Kim SK, White JM, Agrawal PM, Thompson DL Journal of Chemical Physics, 115(16), 7657, 2001 |
| 7 |
A model for predicting the solubility of 1,3,5-trinitro-1,3,5-s-triazine (RDX) in supercritical CO2: isothermal-isobaric Monte Carlo simulations Agrawal PM, Sorescu DC, Rice BM, Thompson DL Fluid Phase Equilibria, 155(2), 177, 1999 |
| 8 |
NPT-MC simulations of enhanced solubility of RDX in polar-modified supercritical CO2 Agrawal PM, Rice BM, Sorescu DC, Thompson DL Fluid Phase Equilibria, 166(1), 1, 1999 |
| 9 |
The hard ellipsoid potential model and the limit of rotational energy transfer in molecular collisions Agrawal PM, Tilwankar S, Dabkara NK Journal of Chemical Physics, 108(12), 4854, 1998 |
| 10 |
Spectral-Line Shapes in Systems Undergoing Continuous Frequency-Modulation Agrawal PM, Sorescu DC, Kay RD, Thompson DL, Raff LM, Conrey JB, Jameson AK Journal of Chemical Physics, 105(7), 2686, 1996 |