Ralph A. Wheeler

Publication Activity (10 Years)

Years Active: 1998-2022
Publications (10 Years): 2

Top Topics

Digital X Ray Images

Molecular Dynamics

Scientific Data

Top Venues

Comput. Phys. Commun.

Publications

Travis Mackoy, Bharat Kale, Michael E. Papka, Ralph A. Wheeler
Corrigendum to "viewSq, a Visual Molecular Dynamics (VMD) module for calculating, analyzing, and visualizing X-ray and neutron structure factors from atomistic simulations" [Comput. Phys. Commun. 264 (2021) 107881]. Comput. Phys. Commun. 276 (2022)
Travis Mackoy, Bharat Kale, Michael E. Papka, Ralph A. Wheeler
viewSq, a Visual Molecular Dynamics (VMD) module for calculating, analyzing, and visualizing X-ray and neutron structure factors from atomistic simulations. Comput. Phys. Commun. 264 (2021)
Marie L. Laury, Scott E. Boesch, Ian Haken, Pankaj Sinha, Ralph A. Wheeler, Angela K. Wilson
Harmonic vibrational frequencies: Scale factors for pure, hybrid, hybrid meta, and double-hybrid functionals in conjunction with correlation consistent basis sets. J. Comput. Chem. 32 (11) (2011)
Kevin S. Raymond, Ralph A. Wheeler
Compatibility of correlation-consistent basis sets with a hybrid Hartree-Fock/density functional method. J. Comput. Chem. 20 (2) (1999)
Anthony K. Grafton, Ralph A. Wheeler
Vibrational projection analysis: New tool for quantitatively comparing vibrational normal modes of similar molecules. J. Comput. Chem. 19 (14) (1998)