Dataset Open Access
Bao, Jie;
Hermes, Matthew R.;
Scott, Thais R.;
Sand, Andrew M.;
Lindh, Roland;
Gagliardi, Laura;
Truhlar, Donald G.
{ "publisher": "Zenodo", "DOI": "10.5281/zenodo.7020288", "author": [ { "family": "Bao, Jie" }, { "family": "Hermes, Matthew R." }, { "family": "Scott, Thais R." }, { "family": "Sand, Andrew M." }, { "family": "Lindh, Roland" }, { "family": "Gagliardi, Laura" }, { "family": "Truhlar, Donald G." } ], "issued": { "date-parts": [ [ 2022, 5, 30 ] ] }, "abstract": "<p>This deposist contains xyz files and input and output files as supporting data for “Analytic Gradients for Compressed Multistate Pair-Density Functional Theory,” 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 Lutos\u0142aw Wolniewicz.</p>", "title": "geometries and output files for CMS-PDFT gradient paper", "type": "dataset", "id": "7020288" }
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