Determination of H-Atom Positions in Organic Crystal Structures by NEXAFS Combined with Density Functional Theory: a Study of Two-Component Systems Containing Isonicotinamide.

Edwards, Paul T; Saunders, Lucy K; Grinter, David C; Ferrer, Pilar; Held, Georg; Shotton, Elizabeth J; Schroeder, Sven L M

Edwards, Paul T; Saunders, Lucy K; Grinter, David C; Ferrer, Pilar; Held, Georg; Shotton, Elizabeth J; Schroeder, Sven L M.

Afiliação

Edwards PT; School of Chemical and Process Engineering, University of Leeds, Leeds LS2 9JT, U.K.
Saunders LK; Diamond Light Source, Harwell Science & Innovation Campus, Didcot OX11 0DE, U.K.
Grinter DC; Diamond Light Source, Harwell Science & Innovation Campus, Didcot OX11 0DE, U.K.
Ferrer P; Diamond Light Source, Harwell Science & Innovation Campus, Didcot OX11 0DE, U.K.
Held G; Diamond Light Source, Harwell Science & Innovation Campus, Didcot OX11 0DE, U.K.
Shotton EJ; Diamond Light Source, Harwell Science & Innovation Campus, Didcot OX11 0DE, U.K.
Schroeder SLM; Diamond Light Source, Harwell Science & Innovation Campus, Didcot OX11 0DE, U.K.

J Phys Chem A ; 126(19): 2889-2898, 2022 May 19.

Article em En | MEDLINE | ID: mdl-35537046

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article