Dominic A. Sirianni

Westminster College - Pennsylvania — United States

Materials Science · Physical Sciences

11h-index1.4kcitations26works0.52yr avg
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Research Topics

Crystallization and Solubility Studies(9), X-ray Diffraction in Crystallography(9), Advanced Chemical Physics Studies(8), Spectroscopy and Quantum Chemical Studies(5), Catalysis and Oxidation Reactions(4)

Publications26 total

Effect of Chalcogen-Phosphorus Substituents on Enediynes Undergoing the Bergman Cyclization
Inorganic Chemistry·2025Open Access
A spin–flip study of the diradical isomers of pyrrole, furan, and thiophene
The Journal of Chemical Physics·2024· 1 cited
Variations on the Bergman Cyclization Theme: Electrocyclizations of Ionic Penta-, Hepta-, and Octadiynes
Journal of the American Chemical Society·2023· 5 citedOpen Access
Building a Successful Computational Chemistry Laboratory
ACS symposium series·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 <i>π</i>–<i>π</i> interactions by water
The Journal of Chemical Physics·2022· 16 cited
PSI4EDUCATION: Free and Open-Source Programing Activities for Chemical Education with Free and Open-Source Software
ACS symposium series·2021· 8 cited
Optimized damping parameters for empirical dispersion corrections to symmetry-adapted perturbation theory
The Journal of Chemical Physics·2021· 19 cited
P <scp>SI4</scp> 1.4: Open-source software for high-throughput quantum chemistry
The Journal of Chemical Physics·2020· 925 citedOpen Access
Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry
2020· 32 citedOpen Access
Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry
2020· 89 citedOpen Access
Tipping the Balance between S-π and O-π Interactions
Journal of the American Chemical Society·2018· 51 cited
P <scp>si</scp> 4N <scp>um</scp> P <scp>y</scp> : An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development
Journal of Chemical Theory and Computation·2018· 151 cited
psi4/psi4numpy v1.0
Zenodo (CERN European Organization for Nuclear Research)·2018Open Access
Assessment of Density Functional Methods for Geometry Optimization of Bimolecular van der Waals Complexes
Journal of Chemical Theory and Computation·2018· 40 cited
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development
2018· 18 citedOpen Access
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development
2018· 32 citedOpen Access
CCDC 1875617: Experimental Crystal Structure Determination
The Cambridge Structural Database·2018Open Access
CCDC 1875610: Experimental Crystal Structure Determination
The Cambridge Structural Database·2018Open Access
CCDC 1875615: Experimental Crystal Structure Determination
The Cambridge Structural Database·2018Open Access
CCDC 1875613: Experimental Crystal Structure Determination
The Cambridge Structural Database·2018Open Access
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Frequent Co-authors

C. David Sherrill(21), Jungwun Hwang(10), Mark D. Smith(10), Constance E. Warden(10), Erik C. Vik(10), Josef M. Maier(10), Christopher J. Yehl(10), Ken D. Shimizu(10), Lori A. Burns(9), Jeffrey B. Schriber(8), Ping Li(8), Daniel G. A. Smith(7), Andrew M. James(7), Konrad Patkowski(7), Rollin A. King(7), Andrew C. Simmonett(6), Ashutosh Kumar(6), Henry F. Schaefer(6), Francesco A. Evangelista(6), Justin M. Turney(6)