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

Publication
28

H. Lin, Y. Zhang, S. Pezeshki, A. W. Duster, B. Wang, X.-P. Wu, S.-W. Zheng, L. Gagliardi, and D. G. Truhlar, QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations, Comput. Phys. Commun., 2024, 295, 108987, DOI: 10.1016/j.cpc.2023.108987