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Potential Dependence of Electrochemical Barriers from ab initio Calculations | Center for Interface Science and Catalysis
Highly Accurate Spectroscopic Parameters from Ab Initio Calculations: The Interstellar Molecules l-C3H+ and C4 | SpringerLink
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Ab Initio Methods | Max-Planck-Institut für Kohlenforschung
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Overview of First-Principles (ab initio) calculation | CAE Solutions - JSOL Corporation
Towards large-scale, fully ab initio calculations of ionic liquids - 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
