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Empirical potential for methyl-radical association with diamond surfaces
International audience -
Linear Free Energy of Activation Relationship for Barrierless Association Rea...
International audience -
Comparison of molecular dynamics and variational transition-state-theory calc...
International audience -
Advances in Classical Trajectory Methods, Volume 4: Molecular Dynamics of Clu...
The use of classical mechanics to simulate atomic and molecular motion has a broad range of applications in science and engineering. This is clearly illustrated by the... -
Comparison of ab Initio and Empirical Potentials for H-Atom Association with ...
International audience -
Ab initio potential and variational transition state theory rate constant for...
International audience
