Quantum mechanics/molecular mechanics methods can be more accurate than full quantum mechanics in systems involving dispersion correlations - Physical Chemistry Chemical Physics (RSC Publishing)
Quantum mechanical molecular dynamics simulations of polaron formation in methylammonium lead iodide perovskite - Physical Chemistry Chemical Physics (RSC Publishing)
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Recent advances in quantum‐mechanical molecular dynamics simulations of proton transfer mechanism in various water‐based environments - Sakti - 2020 - WIREs Computational Molecular Science - Wiley Online Library
Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms - Sousa - 2017 - WIREs Computational Molecular Science - Wiley Online Library
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Molecular Dynamics Simulations with Quantum Mechanics/Molecular Mechanics and Adaptive Neural Networks | Journal of Chemical Theory and Computation
Symmetry | Free Full-Text | Theoretical Basis of Quantum-Mechanical Modeling of Functional Nanostructures