Automatic Mechanism and Kinetic Model Generation for Gas- and Solution-Phase Processes: A Perspective on Best Practices, Recent Advances, and Future Challenges
about
Learning the mechanisms of chemical disequilibria.Silane-initiated nucleation in chemically active plasmas: validation of density functionals, mechanisms, and pressure-dependent variational transition state calculations.Reactive symbol sequences for a model of hydrogen combustion.Nonequilibrium phase coexistence and criticality near the second explosion limit of hydrogen combustion.General concepts, assumptions, drawbacks, and misuses in kinetic Monte Carlo and microkinetic modeling simulations applied to computational heterogeneous catalysis
P2860
Automatic Mechanism and Kinetic Model Generation for Gas- and Solution-Phase Processes: A Perspective on Best Practices, Recent Advances, and Future Challenges
description
article
@en
im Januar 2015 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в січні 2015
@uk
name
Automatic Mechanism and Kineti ...... dvances, and Future Challenges
@en
Automatic Mechanism and Kineti ...... dvances, and Future Challenges
@nl
type
label
Automatic Mechanism and Kineti ...... dvances, and Future Challenges
@en
Automatic Mechanism and Kineti ...... dvances, and Future Challenges
@nl
prefLabel
Automatic Mechanism and Kineti ...... dvances, and Future Challenges
@en
Automatic Mechanism and Kineti ...... dvances, and Future Challenges
@nl
P2093
P2860
P356
P1476
Automatic Mechanism and Kineti ...... dvances, and Future Challenges
@en
P2093
Belinda L. Slakman
Fariba Seyedzadeh Khanshan
Guy B. Marin
Kevin M. Van Geem
Marie-Françoise Reyniers
Nick M. Vandewiele
Pierre L. Bhoorasingh
Ruben Van de Vijver
P2860
P304
P356
10.1002/KIN.20902
P577
2015-01-20T00:00:00Z