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Chemical Science|April 3, 2023
Accurate non-covalent interaction energies on noisy intermediate-scale quantum computers <i>via</i> second-order symmetry-adapted perturbation theoryMatthias Loipersberger, Fionn D Malone, Alicia R Welden, et al.Journal of the American Chemical Society|November 2, 2023
The Energetic Origins of Pi-Pi Contacts in ProteinsKevin Carter-Fenk, Meili Liu, Leila Pujal, et al.ACS Central Science|April 29, 2024
Estimation of Electrostatic Interaction Energies on a Trapped-Ion Quantum ComputerPauline J Ollitrault, Matthias Loipersberger, Robert M Parrish, et al.The Journal of Chemical Physics|September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageEvgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.Pageof 3