| 1 |
Modeling mesoscale reactors for the production of fine chemicals
Witt PM, Somasi S, Khan I, Blaylock DW, Newby JA, Ley SV
Chemical Engineering Journal, 278, 353, 2015 |
| 2 |
Dynamic Modeling To Study Reversible Poisoning of a Catalytic Bed
Somasi S, Witt PM, Calverley EM, Livingston DA, Herceg E
Industrial & Engineering Chemistry Research, 52(44), 15330, 2013 |
| 3 |
Computer simulation of the surface free energy of the Si(100) surface and the line free energies associated with steps on this surface
Somasi S, Khomami B, Lovett R
Journal of Physical Chemistry B, 108(51), 19721, 2004 |
| 4 |
A density functional view of transition state theory: Simulating the rates at which Si adatoms hop on a silicon surface
Somasi S, Khomami B, Lovett R
Journal of Chemical Physics, 119(18), 9783, 2003 |
| 5 |
Computer simulation of surface and adatom properties of Lennard-Jones solids: A comparison between face-centered-cubic and hexagonal-close-packed structures
Somasi S, Khomami B, Lovett R
Journal of Chemical Physics, 114(14), 6315, 2001 |
| 6 |
Simulation of the third law free energies of face-centered-cubic and hexagonal-close-packed Lennard-Jones solids
Somasi S, Khomami B, Lovett R
Journal of Chemical Physics, 113(10), 4320, 2000 |
