When does a functional correctly describe both the structure and the energy of the transition state?
Crossref DOI link: https://doi.org/10.1007/s00894-017-3229-8
Published Online: 2017-02-09
Published Print: 2017-02
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Su, Neil Qiang
Pernot, Pascal
Xu, Xin
Savin, Andreas http://orcid.org/0000-0001-8401-8037
License valid from 2017-02-01