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The Journal of Physical Chemistry. A|October 22, 2025
Basis Set Effect on Linear Response Density Functional Theory Calculations on Periodic SystemsEmmanuel Forson, Taylor Parsons, Marco CaricatoChirality|August 5, 2024
First Principles Simulations of Optical Rotation of Chiral Molecular CrystalsEmmanuel Forson, Taylor Parsons, 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|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|September 11, 2024
Theoretical Study of the Isotope Effect in Optical RotationBrian Faintich, Taylor Parsons, Ty Balduf, et al.The 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|August 2, 2013
A comparison between state-specific and linear-response formalisms for the calculation of vertical electronic transition energy in solution with the CCSD-PCM methodMarco CaricatoJournal of Chemical Theory and Computation|November 24, 2015
Exploring Potential Energy Surfaces of Electronic Excited States in Solution with the EOM-CCSD-PCM MethodMarco CaricatoThe Journal of Chemical Physics|August 25, 2011
CCSD-PCM: improving upon the reference reaction field approximation at no costMarco CaricatoThe Journal of Chemical Physics|October 23, 2020
Origin invariant optical rotation in the length dipole gauge without London atomic orbitalsMarco CaricatoPageof 16