Implementing reactivity in molecular dynamics simulations with harmonic force fields
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DOI: 10.1038/s41467-024-50793-0
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- Isidro Lorenzo Geada & Hadi Ramezani-Dakhel & Tariq Jamil & Marialore Sulpizi & Hendrik Heinz, 2018. "Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard–Jones potential," Nature Communications, Nature, vol. 9(1), pages 1-14, December.
- Peter C. St. John & Yanfei Guan & Yeonjoon Kim & Seonah Kim & Robert S. Paton, 2020. "Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost," Nature Communications, Nature, vol. 11(1), pages 1-12, December.
- Peter C. John & Yanfei Guan & Yeonjoon Kim & Seonah Kim & Robert S. Paton, 2020. "Publisher Correction: Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost," Nature Communications, Nature, vol. 11(1), pages 1-3, December.
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