Mario Barbatti
@mariobarbatti
Theoretical chemist and physicist
Professor Aix Marseille Univ
Senior member @InstUnivFr
Head of the ICR #TheoChem group
orcid.org/0000-0001-9336…
ID: 1550005519
http://barbatti.org 27-06-2013 07:10:57
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After hopping, velocity must be rescaled. How do we do that if NAC vectors aren't available? Josene Toldo, Rafael, Max Pinheiro Jr, Saikat Mukherjee, and I explain that in this new JCTC. #comchem doi.org/10.1021/acs.jc…