Jaguar (software)
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- The Quixote Project: Collaborative and Open Quantum Chemistry Data Management in the Internet Age
- Dr. AZAJ ANSARI
- QM/MM Calculations
- Nwchem: Past, Present, and Future
- From Nwchem to Nwchemex: Evolving with the Computational
- Approximation Methods in Quantum Chemistry: Application to SCF and MP2
- Density Functional Calculation of X-Ray Absorption Spectra Within the Core Hole Approximation: an Implementation in Nwchem
- What Is the Price of Open-Source Software?
- Computational Chemistry Using Linux
- Advances in Molecular Quantum Chemistry Contained in the Q-Chem 4 Program Package
- TDDFT As a Tool in Chemistry II
- Nwchem Tutorial
- Advances in Molecular Quantum Chemistry Contained in the Q-Chem
- Psi-K Highlight
- Jaguar User's Guide
- Instructor Since 2013
- Dr Marek Freindorf E-‐Mail: [email protected] Phone: (214)
- ORNL TM-2007 44.Pdf