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Probing the range of applicability of structure‐ and energy‐adjusted QM/MM link bonds II: Optimized link bond parameters for density functional tight binding approaches
Journal of Computational Chemistry, EarlyView.
Journal of Computational Chemistry, EarlyView.
Molecular PharmaceuticsDOI: 10.1021/acs.molpharmaceut.2c00010
Molecular PharmaceuticsDOI: 10.1021/acs.molpharmaceut.1c00781
Chemical Research in ToxicologyDOI: 10.1021/acs.chemrestox.1c00361
Chemical Research in ToxicologyDOI: 10.1021/acs.chemrestox.1c00384
Chemical Research in ToxicologyDOI: 10.1021/acs.chemrestox.1c00416
Journal of Chemical EducationDOI: 10.1021/acs.jchemed.1c01213