Kenneth B. Wiberg

Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane

Solvent Effects. 5. Influence of Cavity Shape, Truncation of Electrostatics, and Electron Correlation on ab Initio Reaction Field Calculations

Solvent effects. 1. The mediation of electrostatic effects by solvents

Oxidation in organic chemistry

The Deuterium Isotope Effect

The Concept of Strain in Organic Chemistry

Comparison of atomic charges derived via different procedures

Solvent effects. 3. Tautomeric equilibria of formamide and 2-pyridone in the gas phase and solution: an ab initio SCRF study

Barriers to rotation adjacent to double bonds. 3. The carbon-oxygen barrier in formic acid, methyl formate, acetic acid, and methyl acetate. The origin of ester and amide resonance

Solvent effects. 2. Medium effect on the structure, energy, charge density, and vibrational frequencies of sulfamic acid

Hartree–Fock second derivatives and electric field properties in a solvent reaction field: Theory and application