2 Publications
2025 | Preprint | LibreCat-ID: 64071
X. Wu et al., “Benchmarking semi-empirical quantum chemical methods on liquid water.” 2025.
LibreCat
| Download (ext.)
2022 | Preprint | LibreCat-ID: 33678
A. Henao Aristizabal, Y. Gohar, R. Whilhelm, and T. Kühne, “On the Role of Hydrogen Bond Strength and Charge Transfer of a Diels-Alder Reaction On-Water: Semiempirical and Free Energy Calculations.” American Chemical Society (ACS), 2022.
LibreCat
2 Publications
2025 | Preprint | LibreCat-ID: 64071
X. Wu et al., “Benchmarking semi-empirical quantum chemical methods on liquid water.” 2025.
LibreCat
| Download (ext.)
2022 | Preprint | LibreCat-ID: 33678
A. Henao Aristizabal, Y. Gohar, R. Whilhelm, and T. Kühne, “On the Role of Hydrogen Bond Strength and Charge Transfer of a Diels-Alder Reaction On-Water: Semiempirical and Free Energy Calculations.” American Chemical Society (ACS), 2022.
LibreCat