Ab initio simulations of complementary K-edges and solvatization effects for detection of proton transfer in aqueous 2-thiopyridone

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Authors: J. Norell, S. Eckert, B. E. Van Kuiken, A. Föhlisch, M. Odelius

Journal title: The Journal of Chemical Physics

Journal number: 151/11

Journal publisher: American Institute of Physics

Published year: 2019

Published pages: 114117

DOI identifier: 10.1063/1.5109840

ISSN: 0021-9606