1. Accurate non-covalent interaction energies on noisy intermediate-scale quantum computers via second-order symmetry-adapted perturbation theory. Issue 13 (10th March 2023) Authors: Loipersberger, Matthias; Malone, Fionn D.; Welden, Alicia R.; Parrish, Robert M.; Fox, Thomas; Degroote, Matthias; Kyoseva, Elica; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael Journal: Chemical science Issue: Volume 14:Issue 13(2023) Page Start: 3587 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Consistent inclusion of continuum solvation in energy decomposition analysis: theory and application to molecular CO2 reduction catalysts. Issue 4 (8th December 2020) Authors: Mao, Yuezhi; Loipersberger, Matthias; Kron, Kareesa J.; Derrick, Jeffrey S.; Chang, Christopher J.; Sharada, Shaama Mallikarjun; Head-Gordon, Martin Journal: Chemical science Issue: Volume 12:Issue 4(2021) Page Start: 1398 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Probing radical–molecule interactions with a second generation energy decomposition analysis of DFT calculations using absolutely localized molecular orbitals. Issue 23 (8th June 2020) Authors: Mao, Yuezhi; Levine, Daniel S.; Loipersberger, Matthias; Horn, Paul R.; Head-Gordon, Martin Journal: Physical chemistry chemical physics Issue: Volume 22:Issue 23(2020) Page Start: 12867 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Revisiting the Bonding Model for Gold(I) Species: The Importance of Pauli Repulsion Revealed in a Gold(I)‐Cyclobutadiene Complex. (30th March 2022) Authors: Wong, Zeng Rong; Schramm, Tim K.; Loipersberger, Matthias; Head‐Gordon, Martin; Toste, F. Dean Journal: Angewandte Chemie Issue: Volume 134:Number 22(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Revisiting the Bonding Model for Gold(I) Species: The Importance of Pauli Repulsion Revealed in a Gold(I)‐Cyclobutadiene Complex. Issue 22 (30th March 2022) Authors: Wong, Zeng Rong; Schramm, Tim K.; Loipersberger, Matthias; Head‐Gordon, Martin; Toste, F. Dean Journal: Angewandte Chemie international edition Issue: Volume 61:Issue 22(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗