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Journal of Chemical Theory and Computation|March 25, 2025
Analytic Computation of Vibrational Circular Dichroism Spectra Using Second-Order Møller-Plesset Perturbation TheoryBrendan M Shumberger, Kirk C Pearce, T Daniel CrawfordThe Journal of Physical Chemistry. A|January 15, 2026
Analytic Computation of Vibrational Circular Dichroism Spectra Using Configuration Interaction MethodsBrendan M Shumberger, T Daniel CrawfordJournal of Chemical Theory and Computation|August 13, 2024
Simulation of Vibrational Circular Dichroism Spectra Using Second-Order Møller-Plesset Perturbation Theory and Configuration Interaction DoublesBrendan M Shumberger, T Daniel CrawfordThe Journal of Chemical Physics|March 23, 2026
A length-gauge origin-invariant approach to vibrational circular dichroism spectra without gauge-including atomic orbitalsBrendan M Shumberger, James R Cheeseman, Marco Caricato, et al.Journal of Natural Products|April 6, 2021
Structure Elucidation and Confirmation of Phloroglucinols from the Roots of Garcinia dauphinensis by Comparison of Experimental and Calculated ECD Spectra and Specific RotationsKirk C Pearce, Rolly G Fuentes, Susana Calderon, et al.Journal of Natural Products|May 3, 2017
Antiplasmodial Sesquiterpenoid Lactones from Trichospira verticillata: Structure Elucidation by Spectroscopic Methods and Comparison of Experimental and Calculated ECD DataYongle Du, Kirk C Pearce, Yumin Dai, et al.Journal of Natural Products|October 26, 2018
Phloroglucinols from the Roots of Garcinia dauphinensis and Their Antiproliferative and Antiplasmodial ActivitiesRolly G Fuentes, Kirk C Pearce, Yongle Du, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 16, 2011
Coupled-cluster calculations of vibrational Raman optical activity spectraT Daniel Crawford, Kenneth RuudThe Journal of Physical Chemistry. A|April 8, 2021
Modeling Complex Solvent Effects on the Optical Rotation of Chiral Molecules: A Combined Molecular Dynamics and Density Functional Theory StudyRuhee D'Cunha, T Daniel CrawfordPhysical Chemistry Chemical Physics : PCCP|October 28, 2010
Symmetry breaking in the cyclic C(3)C(2)H radicalBenjamin Mintz, T Daniel CrawfordPageof 9