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1 Ergebnisse
1
Temperature Extrapolation of Molecular Dynamics Simulations..:
Dufour-Décieux, Vincent
;
Ransom, Brandi
;
Sendek, Austin D.
...
Journal of Chemical Theory and Computation. 18 (2022) 12 - p. 7496-7509 , 2022
Link:
https://doi.org/10.1021/acs.jctc.2c00623
RT Journal T1
Temperature Extrapolation of Molecular Dynamics Simulations of Complex Chemistry to Microsecond Timescales Using Kinetic Models: Applications to Hydrocarbon Pyrolysis
UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.2c00623&Exemplar=1&LAN=DE A1 Dufour-Décieux, Vincent A1 Ransom, Brandi A1 Sendek, Austin D. A1 Freitas, Rodrigo A1 Blanchet, Jose A1 Reed, Evan J. PB American Chemical Society (ACS) YR 2022 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 18 IS 12 SP 7496 OP 7509 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.2c00623 DO https://doi.org/10.1021/acs.jctc.2c00623 SF ELIB - SuUB Bremen
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