Structural water in amorphous carbonate minerals: <i>ab initio</i> molecular dynamics simulations of X-ray pair distribution experiments.

Prange, Micah P; Mergelsberg, Sebastian T; Kerisit, Sebastien N

Structural water in amorphous carbonate minerals: ab initio molecular dynamics simulations of X-ray pair distribution experiments.

Prange, Micah P; Mergelsberg, Sebastian T; Kerisit, Sebastien N.

Afiliação

Prange MP; Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington, 99352, USA. sebastien.kerisit@pnnl.gov.
Mergelsberg ST; Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington, 99352, USA. sebastien.kerisit@pnnl.gov.
Kerisit SN; Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington, 99352, USA. sebastien.kerisit@pnnl.gov.

Phys Chem Chem Phys ; 25(9): 6768-6779, 2023 Mar 01.

Article em En | MEDLINE | ID: mdl-36789518

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Assunto da revista: BIOFISICA / QUIMICA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Estados Unidos

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