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Dominic A Sirianni - Publications

Affiliations: 
Daemen University 
Area:
quantum chemistry, noncovalent interactions, electronic structure theory
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8 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
2023 Sirianni DA, Song X, Wairegi S, Wang EB, Mendoza-Gomez SA, Luxon A, Zimmerley M, Nussdorf A, Filatov M, Hoffmann R, Parish CA. Variations on the Bergman Cyclization Theme: Electrocyclizations of Ionic Penta-, Hepta-, and Octadiynes. Journal of the American Chemical Society. 145: 21408-21418. PMID 37747784 DOI: 10.1021/jacs.3c06691  0.534
2022 Sirianni DA, Zhu X, Sitkoff DF, Cheney DL, Sherrill CD. 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. PMID 35597646 DOI: 10.1063/5.0087302  0.504
2021 Schriber JB, Sirianni DA, Smith DGA, Burns LA, Sitkoff D, Cheney DL, Sherrill CD. Optimized damping parameters for empirical dispersion corrections to symmetry-adapted perturbation theory. The Journal of Chemical Physics. 154: 234107. PMID 34241276 DOI: 10.1063/5.0049745  0.534
2020 Smith DGA, Burns LA, Simmonett AC, Parrish RM, Schieber MC, Galvelis R, Kraus P, Kruse H, Di Remigio R, Alenaizan A, James AM, Lehtola S, Misiewicz JP, Scheurer M, Shaw RA, ... ... Sirianni DA, et al. Psi4 1.4: Open-source software for high-throughput quantum chemistry. The Journal of Chemical Physics. 152: 184108. PMID 32414239 DOI: 10.1063/5.0006002  0.554
2018 Hwang J, Li P, Smith MD, Warden CE, Sirianni DA, Vik EC, Maier JM, Yehl CJ, Sherrill CD, Shimizu KD. Tipping the balance between S-π and O-π interactions. Journal of the American Chemical Society. PMID 30251855 DOI: 10.1021/Jacs.8B07617  0.46
2018 Smith DGA, Burns LA, Sirianni DA, Nascimento DR, Kumar A, James AM, Schriber JB, Zhang T, Zhang B, Abbott AS, Berquist EJ, Lechner MH, Cunha LA, Heide AG, Waldrop JM, et al. Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development. Journal of Chemical Theory and Computation. PMID 29771539 DOI: 10.1021/Acs.Jctc.8B00286  0.547
2018 Sirianni DA, Alenaizan A, Cheney DL, Sherrill CD. Assessment of Density Functional Methods for Geometry Optimization of Bimolecular van der Waals Complexes. Journal of Chemical Theory and Computation. 14: 3004-3013. PMID 29763302 DOI: 10.1021/Acs.Jctc.8B00114  0.494
2017 Sirianni DA, Burns LA, Sherrill CD. Comparison of Explicitly Correlated Methods for Computing High-Accuracy Benchmark Energies for Noncovalent Interactions. Journal of Chemical Theory and Computation. 13: 86-99. PMID 28068770 DOI: 10.1021/Acs.Jctc.6B00797  0.485
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