Luke Bertels
0000-0003-1776-2266
5 papers found
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Exploring the Limits of Second- and Third-Order Møller–Plesset Perturbation Theories for Noncovalent Interactions: Revisiting MP2.5 and Assessing the Importance of Regularization and Reference Orbitals
Polishing the Gold Standard: The Role of Orbital Choice in CCSD(T) Vibrational Frequency Prediction
Third-Order Møller–Plesset Theory Made More Useful? The Role of Density Functional Theory Orbitals
Benchmarking the Performance of the ReaxFF Reactive Force Field on Hydrogen Combustion Systems
Third-Order Møller–Plesset Perturbation Theory Made Useful? Choice of Orbitals and Scaling Greatly Improves Accuracy for Thermochemistry, Kinetics, and Intermolecular Interactions
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