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Supplemental Data Set

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posted on 2025-05-02, 12:06 authored by Caroline Glick, Rameshwar Kumawat, C. David Sherrill
Raw and compiled data. LRMSD and delta_COM values, Cartesian coordinates of all structures, and complete Psi4 output files

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    DOI - Is supplement to Evaluating wavefunction methods, the counterpoise correction, and the frozen core approximation for the optimization of van der Waals dimers

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