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Dana O'Connor

Showing results (1-10 of 5) with videos related to

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Journal of Chemical Theory and Computation|June 27, 2022
Performance of Dispersion-Inclusive Density Functional Theory Methods for Energetic MaterialsDana O'Connor, Imanuel Bier, Yun-Ting Hsieh, et al.
Crystal Growth & Design|January 4, 2024
Ab Initio Crystal Structure Prediction of the Energetic Materials LLM-105, RDX, and HMXDana O'Connor, Imanuel Bier, Rithwik Tom, et al.
Crystal Growth & Design|November 10, 2025
Efficient Molecular Crystal Structure Prediction and Stability Assessment with AIMNet2 Neural Network PotentialsKamal Singh Nayal, Dana O'Connor, Roman Zubatyuk, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|October 17, 2024
The seventh blind test of crystal structure prediction: structure ranking methodsLily M Hunnisett, Nicholas Francia, Jonas Nyman, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|October 15, 2024
The seventh blind test of crystal structure prediction: structure generation methodsLily M Hunnisett, Jonas Nyman, Nicholas Francia, et al.
Pageof 1

Showing results (1-10 of 5) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|June 27, 2022
Performance of Dispersion-Inclusive Density Functional Theory Methods for Energetic MaterialsDana O'Connor, Imanuel Bier, Yun-Ting Hsieh, et al.
Crystal Growth & Design|January 4, 2024
Ab Initio Crystal Structure Prediction of the Energetic Materials LLM-105, RDX, and HMXDana O'Connor, Imanuel Bier, Rithwik Tom, et al.
Crystal Growth & Design|November 10, 2025
Efficient Molecular Crystal Structure Prediction and Stability Assessment with AIMNet2 Neural Network PotentialsKamal Singh Nayal, Dana O'Connor, Roman Zubatyuk, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|October 17, 2024
The seventh blind test of crystal structure prediction: structure ranking methodsLily M Hunnisett, Nicholas Francia, Jonas Nyman, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|October 15, 2024
The seventh blind test of crystal structure prediction: structure generation methodsLily M Hunnisett, Jonas Nyman, Nicholas Francia, et al.
Pageof 1