Dominic A Sirianni
Affiliations: | Daemen University |
Area:
quantum chemistry, noncovalent interactions, electronic structure theoryGoogle:
"Dominic Sirianni"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| C. David Sherrill | grad student | 2015-2020 | Georgia Tech |
| Carol A. Parish | post-doc | 2020-2022 | University of Richmond |
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Publications
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| Chen Z, Mendoza-Gomez S, Azar-Tanguay JE, et al. (2024) A spin-flip study of the diradical isomers of pyrrole, furan, and thiophene. The Journal of Chemical Physics. 161 |
| Sirianni DA, Song X, Wairegi S, et al. (2023) Variations on the Bergman Cyclization Theme: Electrocyclizations of Ionic Penta-, Hepta-, and Octadiynes. Journal of the American Chemical Society. 145: 21408-21418 |
| Sirianni DA, Zhu X, Sitkoff DF, et al. (2022) The influence of a solvent environment on direct non-covalent interactions between two molecules: A symmetry-adapted perturbation theory study of polarization tuning of π-π interactions by water. The Journal of Chemical Physics. 156: 194306 |
| Schriber JB, Sirianni DA, Smith DGA, et al. (2021) Optimized damping parameters for empirical dispersion corrections to symmetry-adapted perturbation theory. The Journal of Chemical Physics. 154: 234107 |
| Smith DGA, Burns LA, Simmonett AC, et al. (2020) Psi4 1.4: Open-source software for high-throughput quantum chemistry. The Journal of Chemical Physics. 152: 184108 |
| Hwang J, Li P, Smith MD, et al. (2018) Tipping the balance between S-π and O-π interactions. Journal of the American Chemical Society |
| Smith DGA, Burns LA, Sirianni DA, et al. (2018) Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development. Journal of Chemical Theory and Computation |
| Sirianni DA, Alenaizan A, Cheney DL, et al. (2018) Assessment of Density Functional Methods for Geometry Optimization of Bimolecular van der Waals Complexes. Journal of Chemical Theory and Computation. 14: 3004-3013 |
| Sirianni DA, Burns LA, Sherrill CD. (2017) Comparison of Explicitly Correlated Methods for Computing High-Accuracy Benchmark Energies for Noncovalent Interactions. Journal of Chemical Theory and Computation. 13: 86-99 |