Daniel G. A. Smith
Affiliations: | Virginia Polytechnic Institute and State University, Blacksburg, VA, United States |
Area:
Quantum Chemistry, Software, InteroperabilityGoogle:
"Daniel Smith"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Konrad Patkowski | grad student | 2012-2016 | Auburn University |
| C. David Sherrill | post-doc | 2016-2017 | Georgia Tech |
| Thomas Daniel Crawford | research scientist | 2016- | Virginia Tech |
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Publications
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| Smith DG, Burns LA, Patkowski K, et al. (2016) Revised Damping Parameters for the D3 Dispersion Correction to Density Functional Theory. The Journal of Physical Chemistry Letters |
| Li S, Smith DG, Patkowski K. (2015) An accurate benchmark description of the interactions between carbon dioxide and polyheterocyclic aromatic compounds containing nitrogen. Physical Chemistry Chemical Physics : Pccp. 17: 16560-74 |
| Smith DG, Jankowski P, Slawik M, et al. (2014) Basis Set Convergence of the Post-CCSD(T) Contribution to Noncovalent Interaction Energies. Journal of Chemical Theory and Computation. 10: 3140-50 |
| Smith DG, Patkowski K, Trinh D, et al. (2014) Highly correlated electronic structure calculations of the He-C3 van der Waals complex and collision-induced rotational transitions of C3. The Journal of Physical Chemistry. A. 118: 6351-60 |
| Smith DG, Patkowski K. (2013) Interactions between Methane and Polycyclic Aromatic Hydrocarbons: A High Accuracy Benchmark Study. Journal of Chemical Theory and Computation. 9: 370-89 |
| Bakr BW, Smith DG, Patkowski K. (2013) Highly accurate potential energy surface for the He-H2 dimer. The Journal of Chemical Physics. 139: 144305 |