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The Journal of Physical Chemistry. A|May 9, 2025
Pair Natural Orbitals for Coupled Cluster Quadratic Response TheoryJose P Madriaga, Monika Kodrycka, T Daniel CrawfordThe Journal of Chemical Physics|February 14, 2006
Sources of error in electronic structure calculations on small chemical systemsDavid Feller, Kirk A Peterson, T Daniel CrawfordThe Journal of Physical Chemistry. A|October 10, 2013
Vibrational frequencies and spectroscopic constants for 1 3A' HNC and 1 3A' HOC+ from high-accuracy quartic force fieldsRyan C Fortenberry, T Daniel Crawford, Timothy J LeeThe Journal of Physical Chemistry. A|February 2, 2024
Structure of [18]Annulene Revisited: Challenges for Computing Benzenoid SystemsRollin A King, Peter R Schreiner, T Daniel CrawfordThe Journal of Chemical Physics|July 23, 2004
Real versus artifactual symmetry-breaking effects in Hartree-Fock, density-functional, and coupled-cluster methodsNicholas J Russ, T Daniel Crawford, Gregory S TschumperThe Journal of Chemical Physics|March 3, 2005
Coupled cluster methods including triple excitations for excited states of radicalsChristopher E Smith, Rollin A King, T Daniel CrawfordThe Journal of Chemical Physics|August 12, 2004
Coupled cluster calculations of optical rotatory dispersion of (S)-methyloxiraneMary C Tam, Nicholas J Russ, T Daniel CrawfordThe Journal of Physical Chemistry. A|June 16, 2006
Ab initio optical rotatory dispersion and electronic circular dichroism spectra of (S)-2-chloropropionitrileTimothy D Kowalczyk, Micah L Abrams, T Daniel CrawfordThe Journal of Physical Chemistry. A|November 8, 2007
The current state of ab initio calculations of optical rotation and electronic circular dichroism spectraT Daniel Crawford, Mary C Tam, Micah L AbramsJournal 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 CrawfordPageof 9