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geometries and output files for CMS-PDFT gradient paper

Bao, Jie; Hermes, Matthew R.; Scott, Thais R.; Sand, Andrew M.; Lindh, Roland; Gagliardi, Laura; Truhlar, Donald G.


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    <subfield code="a">&lt;p&gt;This deposist contains xyz files and input and output files as supporting data for &amp;ldquo;Analytic Gradients for Compressed Multistate Pair-Density Functional Theory,&amp;rdquo; by J. J. Bao, M. R. Hermes, T. R. Scott, A. M. Sand, R. Lindh, L. Gagliardi, and D. G. Truhlar, to be published in a special Issue of Molecular Physics dedicated to the memory of Lutosław Wolniewicz.&lt;/p&gt;</subfield>
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