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Ab initio electronic structure calculations of entire blue copper azurins - Physical Chemistry Chemical Physics (RSC Publishing)
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Improving the efficiency of ab initio electronic-structure calculations by deep learning | Nature Computational Science
Ab Initio Calculations of Free Energy of Activation at Multiple Electronic Structure Levels Made Affordable: An Effective Combination of Perturbation Theory and Machine Learning | Journal of Chemical Theory and Computation
Highly Accurate Spectroscopic Parameters from Ab Initio Calculations: The Interstellar Molecules l-C3H+ and C4 | SpringerLink
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