James J Shepherd

16PUBLICATIONS
23CO-AUTHORS
Organometallic chemistryTheoretical quantum chemistryTransition metal chemistryThermodynamics and statistical physicsChemical thermodynamics and energetics
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Publications (16)

|Feb 24, 2025
Wavelength-Selective Reactivity of Iron(III) Halide Salts in Photocatalytic C-H Functionalization.

Cory T Ludwig, Isiaka A Owolabi, Logan W Evans

|Nov 25, 2024
Removing Basis Set Incompleteness Error in Finite-Temperature Electronic Structure Calculations: Two-Electron Systems.

William Z Van Benschoten, James J Shepherd

|Aug 22, 2024
CO adsorption on Pt(111) studied by periodic coupled cluster theory.

Johanna P Carbone, Andreas Irmler, Alejandro Gallo

|Jul 19, 2024
Modulation of Fe-Fe distance and spin in diiron complexes using tetradentate ligands with different flanking donors.

Kyle D Spielvogel, Emily J Campbell, Sabyasachi Roy Chowdhury

|Feb 04, 2024
Sampling the reciprocal Coulomb potential in finite anisotropic cells.

Tobias Schäfer, William Z Van Benschoten, James J Shepherd

|Jan 13, 2024
A shortcut to the thermodynamic limit for quantum many-body calculations of metals.

Tina N Mihm, Tobias Schäfer, Sai Kumar Ramadugu

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Frequent Collaborators

3 joint publications

Tina N Mihm

3 joint publications

Tobias Schäfer

3 joint publications

Andreas Grüneis

2 joint publications

Scott R Daly