On the physical role of exchange in the formation of an intramolecular bond path between two electronegative atoms

A Bond Path and an Attractive Ehrenfest Force Do Not Necessarily Indicate Bonding Interactions: Case Study on M2X2 (M=Li, Na, K; X=H, OH, F, Cl)

(2012) Piotr Dem'yanov et al.   CHEMISTRY-A EUROPEAN JOURNAL

A QTAIM-based energy partitioning for understanding the physical origin of conformational preferences: Application to the Z effect in O=C-X-R and related units

(2012) David Ferro-Costas et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Do Nonbonded H--H Interactions in Phenanthrene Stabilize It Relative to Anthracene? A Possible Resolution to this Question and Its Implications for Ligands such as 2,2′-Bipyridyl

(2012) Robert D. Hancock et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Energetic and Geometrical Evidence of Nonbonding Character of Some Intramolecular Halogen···Oxygen and Other Y···Y Interactions

(2012) Mirosl̷aw Jabłoński   JOURNAL OF PHYSICAL CHEMISTRY A

Revealing Electron Delocalization through the Source Function

(2011) Emanuele Monza et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Convergence of the multipole expansion for 1,2 Coulomb interactions: The modified multipole shifting algorithm

(2010) C. J. F. Solano et al.   JOURNAL OF 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

Halogen bonding: an electrostatically-driven highly directional noncovalent interaction

(2010) Peter Politzer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

Virial theorem in the Kohn–Sham density-functional theory formalism: Accurate calculation of the atomic quantum theory of atoms in molecules energies

(2009) Juan I. Rodríguez et al.   JOURNAL OF CHEMICAL PHYSICS

On the Interpretation of the Source Function

(2009) Louis J. Farrugia et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Bond Paths Are Not Chemical Bonds

(2009) Richard F. W. Bader   JOURNAL OF PHYSICAL CHEMISTRY A

Chemical Bonding in the Inclusion Complex of He in Adamantane (He@adam): The Origin of the Barrier to Dissociation

(2008) Tatyana Strenalyuk et al.   CHEMISTRY-A EUROPEAN JOURNAL

The Implications of Symmetry of the External Potential on Bond Paths

(2008) Erick Cerpa et al.   CHEMISTRY-A EUROPEAN JOURNAL

Influence of Endohedral Confinement on the Electronic Interaction between He atoms: A He2@C20H20Case Study

(2008) Erick Cerpa et al.   CHEMISTRY-A EUROPEAN JOURNAL

The densities produced by the density functional theory: Comparison to full configuration interaction

(2008) Arteum D. Bochevarov et al.   JOURNAL OF CHEMICAL PHYSICS