Published November 23, 2020
| Version 0.0.0
Dataset
Open
Dataset for "Analytic High-order Geometric Derivatives with Polarizable Embedding in a Response Function Framework"
- 1. UiT The Arctic University of Norway
- 2. Aarhus University
Description
This dataset contains data for the article "Analytic High-order Geometric Derivatives with Polarizable Embedding in a Response Function Framework"
Notes
This work has received support from the Norwegian Supercomputing Program (NOTUR) through a grant of computer time (Grant No. NN4654K).
Financial support is acknowledged from the Research Council of Norway through its Centres of Excellence scheme (Grant No: 262695) and a research grant (Grant No. 250743).
J.M.H.O. acknowledges financial support from VILLUM FONDEN (Grant No. 29478).
M.R. acknowledges financial support from the Research Council of Norway and MSCA COFUND (Grant No. 274918).
Files
Acetonitrile_in_acetonitrile.zip
Files
(35.6 GB)
| Name | Size | Download all |
|---|---|---|
|
md5:17f0884989e54696fdb36960a08197c2
|
14.0 GB | Preview Download |
|
md5:3157f34989cde114f962bb97f4fe40d6
|
8.9 GB | Preview Download |
|
md5:d933b586e0bceefc2e868b50ba2f1c87
|
36.9 MB | Preview Download |
|
md5:980334584e2b911a6b5844061ecf400b
|
12.6 GB | Preview Download |
|
md5:8662822a0f9c1bae1f8b21902bf0878f
|
2.0 MB | Preview Download |
|
md5:f689c2bce9ba354092f1bc9a06ee98d0
|
565 Bytes | Preview Download |
|
md5:7cbf1cf17fbde6491f50e7af35228fdd
|
1.9 MB | Preview Download |