VIB5 database with accurate ab initio quantum chemical molecular potential energy surfaces

Affiliations

Lina Zhang: State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Department of Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University
Shuang Zhang: State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Department of Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University
Alec Owens: Department of Physics and Astronomy, University College London
Sergei N. Yurchenko: Department of Physics and Astronomy, University College London
Pavlo O. Dral: State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Department of Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University

Abstract

Measurement(s) potential energy surfaces Technology Type(s) quantum chemistry computational methods