Domain-Averaged Exchange-Correlation Energies as a Physical Underpinning for Chemical Graphs

Nature of Chemical Interactions from the Profiles of Electron Delocalization Indices

(2011) Marco García-Revilla et al.   Journal of Chemical Theory and Computation

Restoring orbital thinking from real space descriptions: bonding in classical and non-classical transition metal carbonyls

(2011) Davide Tiana et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Bonding in Classical and Nonclassical Transition Metal Carbonyls: The Interacting Quantum Atoms Perspective

(2010) Davide Tiana et al.   Journal of Chemical Theory and Computation

Beyond the bond

(2010) Philip Ball   NATURE

When Do Interacting Atoms Form a Chemical Bond? Spectroscopic Measurements and Theoretical Analyses of Dideuteriophenanthrene

(2009) Stefan Grimme et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Steric repulsions, rotation barriers, and stereoelectronic effects: A real space perspective

(2008) A. Martín Pendás et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

EDF: Computing electron number probability distribution functions in real space from molecular wave functions

(2007) E. Francisco et al.   COMPUTER PHYSICS COMMUNICATIONS