Ralph A. Wheeler

According to our database, Ralph A. Wheeler authored at least 5 papers between 1998 and 2022.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2022

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].

Travis Mackoy, Bharat Kale, Michael E. Papka, Ralph A. Wheeler

Comput. Phys. Commun., 2022

2021

viewSq, a Visual Molecular Dynamics (VMD) module for calculating, analyzing, and visualizing X-ray and neutron structure factors from atomistic simulations.

Travis Mackoy, Bharat Kale, Michael E. Papka, Ralph A. Wheeler

Comput. Phys. Commun., 2021

2011

Harmonic vibrational frequencies: Scale factors for pure, hybrid, hybrid meta, and double-hybrid functionals in conjunction with correlation consistent basis sets.

Marie L. Laury, Scott E. Boesch, Ian Haken, Pankaj Sinha, Ralph A. Wheeler, Angela K. Wilson

J. Comput. Chem., 2011

1999

Compatibility of correlation-consistent basis sets with a hybrid Hartree-Fock/density functional method.

Kevin S. Raymond, Ralph A. Wheeler

J. Comput. Chem., 1999

1998

Vibrational projection analysis: New tool for quantitatively comparing vibrational normal modes of similar molecules.

Anthony K. Grafton, Ralph A. Wheeler

J. Comput. Chem., 1998