검색결과 : 7건
| No. | Article |
|---|---|
| 1 |
Comparison of ReaxFF, DFTB, and DFT for Phenolic Pyrolysis. 1. Molecular Dynamics Simulations (Vol 117, pg 11115, 2013) Qi TT, Bauschlicher CW, Lawson JW, Desai TG, Reed EJ, Lenfant A Journal of Physical Chemistry A, 118(28), 5355, 2014 |
| 2 |
Comparison of ReaxFF, DFTB, and DFT for Phenolic Pyrolysis. 1. Molecular Dynamics Simulations Qi TT, Bauschlicher CW, Lawson JW, Desai TG, Reed EJ Journal of Physical Chemistry A, 117(44), 11115, 2013 |
| 3 |
Comparison of ReaxFF, DFTB, and DFT for Phenolic Pyrolysis. 2. Elementary Reaction Paths Bauschlicher CW, Qi TT, Reed EJ, Lenfant A, Lawson JW, Desai TG Journal of Physical Chemistry A, 117(44), 11126, 2013 |
| 4 |
Grain Boundaries in Uranium Dioxide: Scanning Electron Microscopy Experiments and Atomistic Simulations Nerikar PV, Rudman K, Desai TG, Byler D, Unal C, McClellan KJ, Phillpot SR, Sinnott SB, Peralta P, Uberuaga BP, Stanek CR Journal of the American Ceramic Society, 94(6), 1893, 2011 |
| 5 |
Modeling initial stage of phenolic pyrolysis: Graphitic precursor formation and interfacial effects Desai TG, Lawson JW, Keblinski P Polymer, 52(2), 577, 2011 |
| 6 |
Slip behavior at ionic solid-fluid interfaces Desai TG Chemical Physics Letters, 501(1-3), 93, 2010 |
| 7 |
Structure, surface excess and effective interactions in polymer nanocomposite melts and concentrated solutions Hooper JB, Schweizer KS, Desai TG, Koshy R, Keblinski P Journal of Chemical Physics, 121(14), 6986, 2004 |