Efficient Computation of Geometries for Gold Complexes.

Leach, Isaac F; Belpassi, Leonardo; Belanzoni, Paola; Havenith, Remco W A; Klein, Johannes E M N

Leach, Isaac F; Belpassi, Leonardo; Belanzoni, Paola; Havenith, Remco W A; Klein, Johannes E M N.

Afiliación

Leach IF; Molecular Inorganic Chemistry, Stratingh Institute for Chemistry, University of Groningen, 9747, AG Groningen, The Netherlands.
Belpassi L; Zernike Institute for Advanced Materials, University of Groningen, 9747, AG Groningen, The Netherlands.
Belanzoni P; CNR Institute of Chemical Science and Technologies, "Giulio Natta" (CNR-SCITEC), via Elce di Sotto 8, 06123, Perugia, Italy.
Havenith RWA; CNR Institute of Chemical Science and Technologies, "Giulio Natta" (CNR-SCITEC), via Elce di Sotto 8, 06123, Perugia, Italy.
Klein JEMN; Department of Chemistry, Biology and Biotechnology, University of Perugia, via Elce di Sotto 8, 06123, Perugia, Italy.

Chemphyschem ; 22(12): 1262-1268, 2021 06 16.

Article en En | MEDLINE | ID: mdl-33729673

Palabras clave

computational chemistry; geometries; gold catalysis; mechanistic pathways; xTB

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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: Chemphyschem Asunto de la revista: BIOFISICA / QUIMICA Año: 2021 Tipo del documento: Article País de afiliación: Países Bajos

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