Results 1 to 10 of about 747,734 (313)

From weak to strong interactions: A comprehensive analysis of the topological and energetic properties of the electron density distribution involving X–H⋯F–Y systems

Journal of Chemical Physics, 2002
Enrique Espinosa, Ibon Alkorta, JOSÉ Elguero   +2 more
exaly  

A direct optimization method for calculating density functionals and exchange–correlation potentials from electron densities

Journal of Chemical Physics, 2003
Qin Wu, Weitao Yang, Yang Weitao
exaly  

electron density

2009
openaire   +1 more source

Quality of the electron density map

Journal of Molecular Biology, 1983
Abelardo Silva, Michael G. Rossmann, Celerino Abad-Zapatero, R. Huber   +3 more
openaire   +2 more sources

Electron Density and Bonding at Inverted Carbon Atoms: An Experimental Study of a [1.1.1]Propellane Derivative

Angewandte Chemie - International Edition, 2005
Marc Messerschmidt, Stephan Scheins, Lutz Grubert   +2 more
exaly  

Electron Density

2017
openaire   +1 more source

Topological analysis of the electron density in hydrogen bonds

Acta Crystallographica Section B: Structural Science, 1999
E Espinosa, Mohamed Souhassou, Claude Lecomte   +2 more
exaly  

Electron density and electron redistribution in alloys. I. Electron density in elemental metals

Solid State Communications, 1980
openaire   +1 more source

WinXPRO: a program for calculating crystal and molecular properties using multipole parameters of the electron density

Journal of Applied Crystallography, 2002
A I Stash, Vladimir G Tsirelson, Stash A   +2 more
exaly  

Experimental and Theoretical Electron Density Study of Estrone

Journal of the American Chemical Society, 2006
Elizabeth A Zhurova, Cherif F Matta, Vladimir Zhurov   +2 more
exaly