Molecular polarizabilities in aqueous proton transfer reactions

Distance-Dependent Proton Transfer along Water Wires Connecting Acid−Base Pairs

(2009) M. Jocelyn Cox et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Parallel proton transfer pathways in aqueous acid-base reactions

(2008) M. J. Cox et al.   JOURNAL OF CHEMICAL PHYSICS

The Polarizability of Point-Polarizable Water Models:  Density Functional Theory/Molecular Mechanics Results†

(2008) Bernhard Schropp et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Special Pair Dance and Partner Selection: Elementary Steps in Proton Transport in Liquid Water

(2008) Omer Markovitch et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Toward Understanding the Dissociation of Weak Acids in Water: 1. Using IR Spectroscopy to Identify Proton-Shared Hydrogen-Bonded Ion-Pair Intermediates†

(2008) Vibin Thomas et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Progress inAb InitioQM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pKa, Redox Reactions and Solvation Free Energies†

(2008) Shina C. L. Kamerlin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Polarizabilities of individual molecules and ions in liquids from first principles

(2008) M Salanne et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Spectral Signatures and Molecular Origin of Acid Dissociation Intermediates

(2008) Radu Iftimie et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Trapping proton transfer intermediates in the disordered hydrogen-bonded network of cryogenic hydrofluoric acid solutions

(2008) Patrick Ayotte et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Reactive force fields for proton transfer dynamics

(2007) Sven Lammers et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Long-Range Proton Transfer in Aqueous Acid−Base Reactions†

(2007) B. J. Siwick et al.   JOURNAL OF PHYSICAL CHEMISTRY B

An Improved Multistate Empirical Valence Bond Model for Aqueous Proton Solvation and Transport†

(2007) Yujie Wu et al.   JOURNAL OF PHYSICAL CHEMISTRY B