Deborah A Penchoff

4PUBLICATIONS
8CO-AUTHORS
Metal organic frameworksOptimisationTheoretical quantum chemistry
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Publications (4)

|Sep 12, 2026
Molecular Insights into the Separation of Iron by 18-Crown‑6 Ethers from Hydrochloric Acid.

|Feb 08, 2024
Economical quasi-Newton unitary optimization of electronic orbitals.

Samuel A Slattery, Kshitijkumar A Surjuse, Charles C Peterson

|Oct 04, 2023
Direct Determination of Optimal Real-Space Orbitals for Correlated Electronic Structure of Molecules.

Edward F Valeev, Robert J Harrison, Adam A Holmes

|Jun 25, 2021
Actinide tetra-N-heterocyclic carbene 'sandwiches'.

Joseph F DeJesus, Ryan W F Kerr, Deborah A Penchoff

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Frequent Collaborators

2 joint publications

Edward F Valeev

1 joint publications

Ryan W F Kerr

1 joint publications

Polly L Arnold

1 joint publications

David M Jenkins