Machine Learning-Assisted Selection of Active Spaces for Strongly Correlated Transition Metal Systems.

Golub, Pavlo; Antalik, Andrej; Veis, Libor; Brabec, Jiri

Golub, Pavlo; Antalik, Andrej; Veis, Libor; Brabec, Jiri.

Afiliación

Golub P; J. Heyrovsky Institute of Physical Chemistry, v.v.i., Academy of Sciences of the Czech Republic, Dolejskova 3, 18223 Prague 8, Czech Republic.
Antalik A; J. Heyrovsky Institute of Physical Chemistry, v.v.i., Academy of Sciences of the Czech Republic, Dolejskova 3, 18223 Prague 8, Czech Republic.
Veis L; J. Heyrovsky Institute of Physical Chemistry, v.v.i., Academy of Sciences of the Czech Republic, Dolejskova 3, 18223 Prague 8, Czech Republic.
Brabec J; J. Heyrovsky Institute of Physical Chemistry, v.v.i., Academy of Sciences of the Czech Republic, Dolejskova 3, 18223 Prague 8, Czech Republic.

J Chem Theory Comput ; 17(10): 6053-6072, 2021 Oct 12.

Article en En | MEDLINE | ID: mdl-34570505

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: J Chem Theory Comput Año: 2021 Tipo del documento: Article País de afiliación: República Checa Pais de publicación: Estados Unidos

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