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Molecular dynamics simulations of energy transfer in shocked molecular systems

✍ Scribed by A. M. Karo; J. R. Hardy


Publisher
John Wiley and Sons
Year
1986
Tongue
English
Weight
182 KB
Volume
30
Category
Article
ISSN
0020-7608

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Molecular Dynamics (MD) simulations of chemical reactions in condensed fluids are performed by solving the classical mechanical equations of motion in connection with simple transition state activated chemical reactions. This model differs from stochastic models for particle reactions by that MD inc