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QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations

Classical Simulations Electronic Structure - Methods

Publication Details

  • Authors: H. Lin, Y. Zhang, S. Pezeshki, A. W. Duster, B. Wang, X. Wu, S. Zheng, L. Gagliardi, and D.G. Truhlar
  • Publication Number: 463
  • Year: 2023
  • Journal: Computer Physics Communications
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Full Citation

H. Lin, Y. Zhang, S. Pezeshki, A. W. Duster, B. Wang, X. Wu, S. Zheng, L. Gagliardi, and D.G. Truhlar, QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations, Computer Physics Communications, 2023, Article ASAP, DOI: 10.1016/j.cpc.2023.108987