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Quantifying how step-wise fluorination tunes local solute hydrophobicity, hydration shell thermodynamics and the quantum mechanical contributions of solute-water interactions.
Robalo, João R; Mendes de Oliveira, Denilson; Imhof, Petra; Ben-Amotz, Dor; Vila Verde, Ana.
Affiliation
  • Robalo JR; Department of Theory & Bio-Systems, Max Planck Institute for Colloids and Interfaces, Science Park, Potsdam 14476, Germany. ana.vilaverde@mpikg.mpg.de.
  • Mendes de Oliveira D; Purdue University, Department of Chemistry, West Lafayette, IN 47907, USA.
  • Imhof P; Institute for Theoretical Physics, Free University of Berlin, Arnimallee 14, 14195 Berlin, Germany.
  • Ben-Amotz D; Purdue University, Department of Chemistry, West Lafayette, IN 47907, USA.
  • Vila Verde A; Department of Theory & Bio-Systems, Max Planck Institute for Colloids and Interfaces, Science Park, Potsdam 14476, Germany. ana.vilaverde@mpikg.mpg.de.
Phys Chem Chem Phys ; 22(40): 22997-23008, 2020 Oct 21.
Article in En | MEDLINE | ID: mdl-33034325
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2020 Document type: Article Affiliation country: Country of publication:
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2020 Document type: Article Affiliation country: Country of publication: