-
Supporting Data for: Cavity-free continuum solvation: implementation and para...
Supplementary material to an article submitted for review, about the PCM implementation in the MRChem software (https://github.com/MRChemSoft/mrchem), entitled "Cavity-free... -
Replication Data for: Static polarizabilities at the basis set limit: A bench...
Introduction This Dataverse entry contains replication data for our journal article “Static polarizabilities at the basis set limit: A benchmark of 124 species” published in... -
Replication Data for: Fully Polarizable QM/Fluctuating Charge Approach to Two...
This dataset contains raw input and output files for the LSDALTON calculations reported in "Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous... -
Resonating holes vs molecular spin-orbit coupled states in group-5 lacunar sp...
This dataset has no description
-
Electronic supporting information to Maste et al. - The Accuracy Limit of Che...
This dataset has no description
-
Code Generation in ORCA with AGE II. Calculation Data.
Repository containing the ORCA, MRCC and CFOUR output files that showcase the new capabilities of the ORCA's code generator, the Automated Generator Environment (AGE).
