A DFT study of the conformational behavior of para-substituted acetophenones in vacuum and in various solvents

Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

Stanislav Miertuš, Eolo Scrocco, J. Tomasi · Chemical Physics · 1981 · 8.9K citations

Natural Sciences, Chemistry, Computational Chemistry +16

<i>Nuclear Magnetic Resonance</i>

E.R. Andrew, H. Y. Carr · Physics Today · 1956 · 1.2K citations

Natural Sciences, Physics, Nuclear Chemistry +9

On the Spectroscopic and Thermochemical Properties of ClO, BrO, IO, and Their Anions

Kirk A. Peterson, Benjamin C. Shepler, Detlev Figgen et al. · The Journal of Physical Chemistry A · 2006 · 823 citations

Natural Sciences, Chemistry, Physics +17

Internal rotation in molecules

S.J.C · Journal of Molecular Structure · 1975 · 381 citations

Natural Sciences, Chemistry, Physics +11

A quantum chemical approach to dielectric solvent effects in molecular liquids

Jean‐Louis Rivail, Daniel Rinaldi · Chemical Physics · 1976 · 356 citations

Natural Sciences, Chemistry, Physics +16