Visualization and processing of computed solid-state NMR parameters: MagresView and MagresPython.

Sturniolo, Simone; Green, Timothy F G; Hanson, Robert M; Zilka, Miri; Refson, Keith; Hodgkinson, Paul; Brown, Steven P; Yates, Jonathan R

Sturniolo, Simone; Green, Timothy F G; Hanson, Robert M; Zilka, Miri; Refson, Keith; Hodgkinson, Paul; Brown, Steven P; Yates, Jonathan R.

Afiliação

Sturniolo S; Scientific Computing Department, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX, United Kingdom.
Green TFG; Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United Kingdom.
Hanson RM; St. Olaf College, 1520 St. Olaf Ave., Northfield, MN 55057, USA.
Zilka M; Department of Physics, University of Warwick, Coventry CV4 7AL, United Kingdom.
Refson K; Scientific Computing Department, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX, United Kingdom.
Hodgkinson P; Department of Chemistry, Durham University, South Road, DH1 3LE Durham, United Kingdom.
Brown SP; Department of Physics, University of Warwick, Coventry CV4 7AL, United Kingdom.
Yates JR; Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United Kingdom. Electronic address: jonathan.yates@materials.ox.ac.uk.

Solid State Nucl Magn Reson ; 78: 64-70, 2016 09.

Article em En | MEDLINE | ID: mdl-27435606

Palavras-chave

DFT; GIPAW; Simulation; Solid-state NMR; Visualisation

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Solid State Nucl Magn Reson Assunto da revista: DIAGNOSTICO POR IMAGEM / MEDICINA NUCLEAR Ano de publicação: 2016 Tipo de documento: Article País de afiliação: Reino Unido País de publicação: Holanda

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