Hydration of the Fluoride Anion: Structures and Absolute Hydration Free Energy from First-Principles Electronic Structure Calculations

This publication has 62 references indexed in Scilit:

• First-Principles Determination of the Absolute Hydration Free Energy of the Hydroxide Ion
  The Journal of Physical Chemistry A, 2002
• Energy correction to simulation of volume polarization in reaction field theory
  The Journal of Chemical Physics, 2002
• Photodetachment of F−(H2O)n (n=1–4): Observation of charge-transfer states [F−(H2O)n+] and the transition state of F+H2O hydrogen abstraction reaction
  The Journal of Chemical Physics, 2001
• Comment on “Reaction field treatment of charge penetration” [J. Chem. Phys. 112, 5558 (2000)]
  The Journal of Chemical Physics, 2001
• Theoretical Studies of Competing Reaction Pathways and Energy Barriers for Alkaline Ester Hydrolysis of Cocaine
  The Journal of Physical Chemistry A, 2001
• Reaction Pathways and Energy Barriers for Alkaline Hydrolysis of Carboxylic Acid Esters in Water Studied by a Hybrid Supermolecule-Polarizable Continuum Approach
  Journal of the American Chemical Society, 2000
• Binding Energy of F(H₂O)^- and the Simulation of Fluoride Water Clusters Using a Hybrid QM/MM (Fluctuating Charge) Potential
  The Journal of Physical Chemistry A, 1999
• Predicting the Proton Affinities of H₂O and NH₃
  The Journal of Physical Chemistry A, 1998
• Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
  The Journal of Chemical Physics, 1992
• A full coupled-cluster singles and doubles model: The inclusion of disconnected triples
  The Journal of Chemical Physics, 1982