Results 231 to 240 of about 5,824,426 (255)

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

open access: yesAdvanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy   +8 more
wiley   +1 more source

Insect Repellent Activity of Diterpenoid Alkaloids

open access: yesPhytotherapy Research, 2001
Diterpenoid and norditerpenoid alkaloids were tested against Tribolium casteneum (Herbst,) in order to assess their repellent activity. Of 29 tested alkaloids, 21 compounds showed promising insect repellent activity, while eight of them were not found to
Mevlüt Emekci   +2 more
exaly   +2 more sources
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Novel acylpiperidine analogues as potential aphid repellent agents: Rational design, synthesis and repellent activity

Journal of Molecular Structure, 2022
Zhaokai Yang   +2 more
exaly  

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