Sarah Elhajj

5PUBLICATIONS
11CO-AUTHORS
Electronic and magnetic properties of condensed matter; superconductivityOptical properties of materialsPhotochemistryRadiation and matterMain group metal chemistry
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Publications (5)

|Apr 29, 2026
When Do Band Gap Calculations Agree with Experiments in Monolayer-Protected Cu<sub>14</sub> and Au<sub>20</sub> Atomically Precise Nanoclusters? A (TD)-DFT Comparison of HOMO-LUMO, Fundamental, Optical, and Electrochemical Energy Gaps.

|Jan 29, 2026
Measurement and Control of Crossed Potentials in a Flavoprotein.

Benjamin J Jones, Sarah Elhajj, Brett Haynes

|Sep 15, 2025
An automated QM/MM average protein electrostatic configuration approach for flavoproteins: APEC-F 2.0.

Sarah Elhajj, Jacopo D'Ascenzi, Stephen O Ajagbe

|Jul 06, 2024
First and Second Reductions in an Aprotic Solvent: Comparing Computational and Experimental One-Electron Reduction Potentials for 345 Quinones.

Sarah Elhajj, Samer Gozem

|Jun 20, 2024
Kinetic Isotope Effects and the Mechanism of CO<sub>2</sub> Insertion into the Metal-Hydride Bond of <i>fac</i>-(bpy)Re(CO)<sub>3</sub>H.

Mariam Barakat, Sarah Elhajj, Riyad Yazji

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Frequent Collaborators

4 joint publications

Samer Gozem

1 joint publications

Alexander J M Miller

1 joint publications

Faraj Hasanayn

1 joint publications

Jacopo D'Ascenzi