Featured Dataverses

In order to use this feature you must have at least one published or linked dataverse.

Publish Dataverse

Are you sure you want to publish your dataverse? Once you do so it must remain published.

Publish Dataverse

This dataverse cannot be published because the dataverse it is in has not been published.

Delete Dataverse

Are you sure you want to delete your dataverse? You cannot undelete this dataverse.

Advanced Search

3,131 to 3,140 of 11,133 Results
Supporting Data for: Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework
Mar 1, 2023
Gerez Sazo, Gabriel Adolfo; Di Remigio Eikås, Roberto; Frediani, Luca, 2022, "Supporting Data for: Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework", https://doi.org/10.18710/TFSWLC, DataverseNO, V2
Supplementary material to an article submitted for review, about the PCM implementation in the MRChem software (https://github.com/MRChemSoft/mrchem), entitled "Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework" (2022-11-03). We prese...
00_README.md
Mar 1, 2023 - Supporting Data for: Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework
Markdown Text - 14.6 KB - MD5: 7b580a9b017eb6a9e79d73f6ff3fb09b
01_zipdata_overview_small_mrchemjobs.txt
Nov 10, 2022 - Supporting Data for: Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework
Plain Text - 34.5 KB - MD5: 96e5f8cf23ccb261071ecf67b8c41168
02_zipdata_overview_large_mrchemjobs.txt
Nov 10, 2022 - Supporting Data for: Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework
Plain Text - 488.5 KB - MD5: 3d07588cb260e093aa58d7c713759473
03_zipdata_overview_gaussianjobs.txt
Nov 10, 2022 - Supporting Data for: Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework
Plain Text - 178.6 KB - MD5: fd552cba08fb7db73408da4f653e76bb
04_zipdata_overview_convergence.txt
Mar 1, 2023 - Supporting Data for: Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework
Plain Text - 462 B - MD5: 080eed02cc862df8c08c4c4bb4bdb62a
05_zipdata_overview_overhead.txt
Mar 1, 2023 - Supporting Data for: Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework
Plain Text - 779 B - MD5: 0087111e013a4f5603ce46b77e264fc8
a10_p2_corr.pdf
Nov 10, 2022 - Supporting Data for: Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework
Adobe PDF - 16.6 KB - MD5: b047523fac0d7e09d25d557b70e305d2
a10_p2_corr.png
a10_p2_corr.png
Nov 10, 2022 - Supporting Data for: Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework
PNG Image - 355.6 KB - MD5: f9e3737e22044b6589f0b856646081bd
a10_p4_corr.pdf
Nov 10, 2022 - Supporting Data for: Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework
Adobe PDF - 16.7 KB - MD5: 273dd30b5333b308ca8db684236b2dcd
Add Data

Log in to create a dataverse or add a dataset.

Log In
Share Dataverse

Share this dataverse on your favorite social media networks.

Link Dataverse
Reset Modifications

Are you sure you want to reset the selected metadata fields? If you do this, any customizations (hidden, required, optional) you have done will no longer appear.