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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.
Affiliation
  • 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 in En | MEDLINE | ID: mdl-35537046
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Phys Chem A Journal subject: QUIMICA Year: 2022 Document type: Article Affiliation country: Reino Unido Country of publication: Estados Unidos
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Phys Chem A Journal subject: QUIMICA Year: 2022 Document type: Article Affiliation country: Reino Unido Country of publication: Estados Unidos