Tautomeric contributions to the absorption spectrum of [2,2′-bipyridyl]-3,3′-diol in water unveiled by molecular dynamics with accurate quantum mechanically derived force-fields
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Published:2024-02
Issue:
Volume:396
Page:123898
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ISSN:0167-7322
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Container-title:Journal of Molecular Liquids
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language:en
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Short-container-title:Journal of Molecular Liquids
Author:
Prampolini Giacomo,
Porwal Vishal K.ORCID,
Carof AntoineORCID,
Ingrosso FrancescaORCID
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3. Proton transfer in the ground and excited electronic states of [2, 2′-bipyridyl]-3, 3′-diol. a semiempirical study;Barone;J. Chem. Soc., Perkin Trans. 2,1995
4. Double-proton-transfer in [2, 2′-bipyridine]-3, 3′-diol: an ab initio study;Sobolewski;Chem. Phys. Lett.,1996
5. Ultrafast single and double proton transfer in photo-excited [2, 2′-bipyridyl]-3, 3′-diol;Zhang;Chem. Phys. Lett.,1996
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