Zero-point energy conservation in classical trajectory simulations: Application to H2CO
Author:
Affiliation:
1. School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia
2. School of Chemistry, The University of New South Wales, Sydney, NSW 2052, Australia
Funder
National Computational Infrastructure
Australian Research Council
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5023508
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1. Molecular Trajectory Calculations
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4. New insights on reaction dynamics from formaldehyde photodissociation
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