electron density
National Institutes of Health
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An electron density (ED)-based methodology is developed for the automatic identification of intermolecular interactions using pro…
Department of Crystallography, Faculty of Chemistry, A. Mickiewicz University, 60-780 Poznan, Poland, Center for…
a) fluorine is the mostelectronegative element, with a Pauling electronegativity of4.0, which is much larger than that of…
We present a new continuum solvation model based on the quantum mechanical charge density of a solute molecule interacting with a…
The side-chain conformation prediction problem is an integral component of protein structure determination, protein structure…
Xfit is a model-building and map viewing program in XtalView that is used by the structural biology community including…
An empirical model of equatorial electron density in the magnetosphere has been developed, covering the range 2.25 < L < 8…
A correlation-energy formula due to Colle and Salvetti [Theor. Chim. Acta 37, 329 (1975)], in which the correlation energy…
Chemical bonding is described in terms of the properties of the one-electron density f2 (r) and the local energy density H (r…