GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions

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Journal

Journal of Chemical Theory and Computation

Topics

Physics

Quantum Mechanics

Chemistry

Computational Chemistry

Computational Physics

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DOI

10.1021/acs.jctc.8b01176

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