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Ab initio instanton rate theory made efficient using Gaussian process regression.
Laude, Gabriel; Calderini, Danilo; Tew, David P; Richardson, Jeremy O.
Affiliation
  • Laude G; Laboratory of Physical Chemistry, ETH Zurich, Switzerland. jeremy.richardson@phys.chem.ethz.ch and On exchange from School of Chemistry, University of Edinburgh, UK.
  • Calderini D; Laboratory of Physical Chemistry, ETH Zurich, Switzerland. jeremy.richardson@phys.chem.ethz.ch.
  • Tew DP; Max-Planck-Institut für Festkörperforschung, Heisenbergstraße 1, 70569 Stuttgart, Germany.
  • Richardson JO; Laboratory of Physical Chemistry, ETH Zurich, Switzerland. jeremy.richardson@phys.chem.ethz.ch.
Faraday Discuss ; 212(0): 237-258, 2018 12 13.
Article in En | MEDLINE | ID: mdl-30230495
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Full text: 1 Database: MEDLINE Language: En Journal: Faraday Discuss Journal subject: QUIMICA Year: 2018 Type: Article Affiliation country: United kingdom
Fulltext
Add to My VHL
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XML
PubMed Links
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Full text: 1 Database: MEDLINE Language: En Journal: Faraday Discuss Journal subject: QUIMICA Year: 2018 Type: Article Affiliation country: United kingdom