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Inorganic Chemistry|May 24, 2008
Room-temperature and near-room-temperature molecule-based magnetsMark D Harvey, T Daniel Crawford, Gordon T Yee
The Journal of Physical Chemistry. A|May 10, 2007
Chiroptical properties of (R)-3-chloro-1-butene and (R)-2-chlorobutaneMary C Tam, Micah L Abrams, T Daniel Crawford
Biochemistry and Molecular Biology Education : a Bimonthly Publication of the International Union of Biochemistry and Molecular Biology|September 12, 2022
Python scripting for biochemistry and molecular biology in Jupyter NotebooksPaul A Craig, Jessica A Nash, T Daniel Crawford
The Journal of Physical Chemistry. A|April 11, 2023
Challenges in the Use of Quantum Computing Hardware-Efficient Ansätze in Electronic Structure TheoryRuhee D'Cunha, T Daniel Crawford, Mario Motta, et al.
The Journal of Chemical Physics|January 29, 2009
On the importance of vibrational contributions to small-angle optical rotation: Fluoro-oxirane in gas phase and solutionThomas Bondo Pedersen, Jacob Kongsted, T Daniel Crawford, et al.
The Journal of Chemical Physics|July 24, 2025
A low-cost four-component relativistic coupled cluster linear response theory based on perturbation sensitive natural spinorsSudipta Chakraborty, Amrita Manna, T Daniel Crawford, et al.
Physical Chemistry Chemical Physics : PCCP|December 23, 2014
Incremental evaluation of coupled cluster dipole polarizabilitiesJoachim Friedrich, Harley R McAlexander, Ashutosh Kumar, et al.
The 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.
The Journal of Physical Chemistry. A|November 6, 2012
The 1 3A' HCN and 1 3A' HCO+ vibrational frequencies and spectroscopic constants from quartic force fieldsRyan C Fortenberry, Xinchuan Huang, T Daniel Crawford, et al.
The Journal of Physical Chemistry. A|March 4, 2008
Born-Oppenheimer symmetry breaking in the C state of NO2: importance of static and dynamic correlation effectsPartha P Bera, Yukio Yamaguchi, Henry F Schaefer, et al.
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