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All papers authored by Luke Bertels

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2021 Matthias Loipersberger

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, Luke W. Bertels

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, Martin Head-Gordon

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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

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

Luke W. Bertels

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, Martin Head-Gordon

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Polishing the Gold Standard: The Role of Orbital Choice in CCSD(T) Vibrational Frequency Prediction

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

2020 Adam Rettig

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, Diptarka Hait

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, Luke W. Bertels

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, Martin Head-Gordon

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Third-Order Møller–Plesset Theory Made More Useful? The Role of Density Functional Theory Orbitals

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

Luke W. Bertels

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, Lucas B. Newcomb, Mohammad Alaghemandi, Jason R. Green

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, Martin Head-Gordon

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Benchmarking the Performance of the ReaxFF Reactive Force Field on Hydrogen Combustion Systems

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

2019 Luke W. Bertels

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, Martin Head-Gordon

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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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