Structure, Energetics, and Spectra for the Oxygen Vacancy in Rutile: Prominence of the Ti-H<sub>O</sub>-Ti Bond.

Palfey, William R; Rossman, George R; Goddard, William A

Structure, Energetics, and Spectra for the Oxygen Vacancy in Rutile: Prominence of the Ti-H_O-Ti Bond.

Palfey, William R; Rossman, George R; Goddard, William A.

Afiliación

Palfey WR; Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, California 91125, United States.
Rossman GR; Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, California 91125, United States.
Goddard WA; Materials and Process Simulation Center (MSC), MC 139-74, California Institute of Technology, Pasadena, California 91125, United States.

J Phys Chem Lett ; 12(41): 10175-10181, 2021 Oct 21.

Article en En | MEDLINE | ID: mdl-34644100

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Phys Chem Lett Año: 2021 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

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