MP2-IQA: upscaling the analysis of topologically partitioned electron correlation

The effects of higher orders of perturbation theory on the correlation energy of atoms and bonds in molecules

(2017) Mark A. Vincent et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Quantifying Electron Correlation of the Chemical Bond

(2017) James L. McDonagh et al.   Journal of Physical Chemistry Letters

Partitioning dynamic electron correlation energy: Viewing Møller-Plesset correlation energies through Interacting Quantum Atom (IQA) energy partitioning

(2016) James L. McDonagh et al.   CHEMICAL PHYSICS LETTERS

Six questions on topology in theoretical chemistry

(2015) Paul L. Ayers et al.   Computational and Theoretical Chemistry

The non-covalent nature of the molecular structure of the benzene molecule

(2014) Thiago Messias Cardozo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electron Density Based Partitioning Scheme of Interaction Energies

(2011) Marcos Mandado et al.   Journal of Chemical Theory and Computation

Theoretical investigation of the ethylene dimer: Interaction energy and dipole moment

(2011) Yulia N. Kalugina et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY