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The Journal of Physical Chemistry. A|September 11, 2024
Theoretical Study of the Isotope Effect in Optical RotationBrian Faintich, Taylor Parsons, Ty Balduf, et al.Chirality|May 3, 2023
On the choice of coordinate origin in length gauge optical rotation calculationsTaylor Parsons, Ty Balduf, Marco CaricatoThe Journal of Physical Chemistry. A|March 10, 2022
Basis Set Dependence of Optical Rotation Calculations with Different Choices of GaugeTaylor Parsons, Ty Balduf, James R Cheeseman, et al.The Journal of Chemical Physics|December 13, 2022
Derivation and implementation of the optical rotation tensor for chiral crystalsTy Balduf, Marco CaricatoThe Journal of Chemical Physics|July 16, 2021
Origin invariant full optical rotation tensor in the length dipole gauge without London atomic orbitalsMarco Caricato, Ty BaldufThe Journal of Physical Chemistry. A|June 4, 2021
Gauge Dependence of the <i>S̃</i> Molecular Orbital Space Decomposition of Optical RotationTy Balduf, Marco CaricatoChirality|April 7, 2021
Full optical rotation tensor at coupled cluster with single and double excitations level in the modified velocity gaugeKaihua Zhang, Ty Balduf, Marco CaricatoThe Journal of Physical Chemistry. A|July 12, 2023
Computational Insights into the Influence of Ligands on Hydrogen Generation with [Cp*Rh] HydridesTy Balduf, James D Blakemore, Marco CaricatoThe Journal of Chemical Physics|January 26, 2026
Length vs velocity gauge formulation of the frequency-dependent polarizability for 1D periodic systems at coupled cluster with single and double excitations levelTaylor Parsons, Marco CaricatoChirality|August 5, 2024
First Principles Simulations of Optical Rotation of Chiral Molecular CrystalsEmmanuel Forson, Taylor Parsons, Marco CaricatoPageof 16