Chemical Notions from the Electron Density.
Rico JF, López R, Ema I, Ramírez G.
Rico JF, et al.
J Chem Theory Comput. 2005 Nov;1(6):1083-95. doi: 10.1021/ct0500951.
J Chem Theory Comput. 2005.
PMID: 26631652
As this behavior has been long rationalized in terms of the basic concepts of empirical structural chemistry, a direct link between both approaches is searched for by using the exact representation of the density provided by the deformed atoms in molecules method (Rico, …
As this behavior has been long rationalized in terms of the basic concepts of empirical structural chemistry, a direct link between both app …