Consistent scheme for computing standard hydrogen electrode and redox potentials

Development of Accurate DFT Methods for Computing Redox Potentials of Transition Metal Complexes: Results for Model Complexes and Application to Cytochrome P450

(2012) Thomas F. Hughes et al.   Journal of Chemical Theory and Computation

An accurate density functional theory based estimation of pKa values of polar residues combined with experimental data: from amino acids to minimal proteins

(2012) Toru Matsui et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical Study on Reaction Scheme of Silver(I) Containing 5-Substituted Uracils Bridge Formation

(2011) Toru Matsui et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Standard hydrogen electrode and potential of zero charge in density functional calculations

(2011) Vladimir Tripkovic et al.   PHYSICAL REVIEW B

A Simple scheme for estimating the pKa values of 5-substituted uracils

(2010) Toru Matsui et al.   CHEMICAL PHYSICS LETTERS

Experimental and Computed Absolute Redox Potentials of Polycyclic Aromatic Hydrocarbons are Highly Linearly Correlated Over a Wide Range of Structures and Potentials

(2010) Anthony P. Davis et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Absolute Potential of the Standard Hydrogen Electrode and the Problem of Interconversion of Potentials in Different Solvents

(2010) Abdirisak A. Isse et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Directly Relating Gas-Phase Cluster Measurements to Solution-Phase Hydrolysis, the Absolute Standard Hydrogen Electrode Potential, and the Absolute Proton Solvation Energy

(2009) William A. Donald et al.   CHEMISTRY-A EUROPEAN JOURNAL

Density functional study of roles of porphyrin ring in electronic structures of heme

(2009) Yu Takano et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Calculation of Solvation Free Energies of Charged Solutes Using Mixed Cluster/Continuum Models

(2008) Vyacheslav S. Bryantsev et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Absolute Standard Hydrogen Electrode Potential Measured by Reduction of Aqueous Nanodrops in the Gas Phase

(2008) William A. Donald et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Ionic Work Function and its Role in Estimating Absolute Electrode Potentials

(2008) W. Ronald Fawcett   LANGMUIR