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Daniel G. A. Smith - Publications

Affiliations: 
Virginia Polytechnic Institute and State University, Blacksburg, VA, United States 
Area:
Quantum Chemistry, Software, Interoperability
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6 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Smith DG, Burns LA, Patkowski K, Sherrill CD. Revised Damping Parameters for the D3 Dispersion Correction to Density Functional Theory. The Journal of Physical Chemistry Letters. PMID 27203625 DOI: 10.1021/Acs.Jpclett.6B00780  0.642
2015 Li S, Smith DG, Patkowski K. An accurate benchmark description of the interactions between carbon dioxide and polyheterocyclic aromatic compounds containing nitrogen. Physical Chemistry Chemical Physics : Pccp. 17: 16560-74. PMID 26055458 DOI: 10.1039/C5Cp02365C  0.645
2014 Smith DG, Jankowski P, Slawik M, Witek HA, Patkowski K. Basis Set Convergence of the Post-CCSD(T) Contribution to Noncovalent Interaction Energies. Journal of Chemical Theory and Computation. 10: 3140-50. PMID 26588285 DOI: 10.1021/Ct500347Q  0.643
2014 Smith DG, Patkowski K, Trinh D, Balakrishnan N, Lee TG, Forrey RC, Yang BH, Stancil PC. 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. PMID 24476383 DOI: 10.1021/Jp412048W  0.621
2013 Smith DG, Patkowski K. Interactions between Methane and Polycyclic Aromatic Hydrocarbons: A High Accuracy Benchmark Study. Journal of Chemical Theory and Computation. 9: 370-89. PMID 26589040 DOI: 10.1021/Ct3008809  0.661
2013 Bakr BW, Smith DG, Patkowski K. Highly accurate potential energy surface for the He-H2 dimer. The Journal of Chemical Physics. 139: 144305. PMID 24116617 DOI: 10.1063/1.4824299  0.618
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