검색결과 : 9건
| No. | Article |
|---|---|
| 1 |
ReaxFF Monte Carlo reactive dynamics Application to resolving the partial occupations of the M1 phase of the MoVNbTeO catalyst Goddard WA, Mueller JE, Chenoweth K, van Duin ACT Catalysis Today, 157(1-4), 71, 2010 |
| 2 |
Initiation Mechanisms and Kinetics of Pyrolysis and Combustion of JP-10 Hydrocarbon Jet Fuel Chenoweth K, van Duin ACT, Dasgupta S, Goddard WA Journal of Physical Chemistry A, 113(9), 1740, 2009 |
| 3 |
ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation Chenoweth K, van Duin ACT, Goddard WA Journal of Physical Chemistry A, 112(5), 1040, 2008 |
| 4 |
Selecting weak bonding sites: effect of a methyl group in the acetylene-polyyne interaction Chenoweth K, Dykstra CE Chemical Physics Letters, 402(4-6), 329, 2005 |
| 5 |
Simulations on the thermal decomposition of a poly(dimethylsiloxane) polymer using the ReaxFF reactive force field Chenoweth K, Cheung S, van Duin ACT, Goddard WA, Kober EM Journal of the American Chemical Society, 127(19), 7192, 2005 |
| 6 |
Pinwheel binding of hydrogen molecules to acetylene Chenoweth K, Dykstra CE Chemical Physics Letters, 400(1-3), 153, 2004 |
| 7 |
Hydrogen molecule clusters Carmichael M, Chenoweth K, Dykstra CE Journal of Physical Chemistry A, 108(15), 3143, 2004 |
| 8 |
Ab initio and model investigation of acetylene clustering around hydrogen cyanide Schroeder WP, Chenoweth K, Dykstra CE Chemical Physics Letters, 373(1-2), 8, 2003 |
| 9 |
The slippery sliding interaction of acetylene with polyynes Chenoweth K, Dykstra CE Journal of Physical Chemistry A, 106(35), 8117, 2002 |