Contains the keyword quantum-chemistry

Nedd SA, DeYonker NJ, Wilson AK, Piecuch P, Gordon MS. Incorporating a completely renormalized coupled cluster approach into a composite method for thermodynamic properties and reaction paths. J Chem Phys. 2012;136:144109. Abstract

Asadchev A, Allada V, Felder J, Bode BM, Gordon MS, Windus TL. Uncontracted Rys Quadrature Implementation of up to G Functions on Graphical Processing Units. Journal of Chemical Theory and Computation. 2010;6:696-704. Abstract

Bytautas L, Ruedenberg K. The Range of Electron Correlation between Localized Molecular Orbitals. A Full Configuration Interaction Analysis for the NCCN Molecule. Journal of Physical Chemistry A. 2010;114:8601-12. Abstract