Published on 01 January 2021

Donchev et al. DES370K

Shaw, David E.;Klepeis, John;Donchev, Alexander G.;Taube, Andrew G.;Decolvenaere, Elizabeth;Hargus, Cory;McGibbon, Robert T.;Ka-Hei Law;Gregersen, Brent A.;Je-Luen Li;Palmo, Kim;Siva, Karthik;Bergdorf, Michael

Description

Full dataset, containing interaction energies calculated using CCSD(T), MP2, HF, and SAPT0, as well as dimer geometries.

Citations (0)

No citations found

It looks like this dataset has no citations.

Mentions (0)

No mentions found

It looks like this dataset has not been mentioned in any sources.

Metrics

Dataset Index

0.3

FAIR Score

13%

Citations

Mentions

Metrics Over Time

Publication Details

DOI

10.6084/m9.figshare.12692714.v1

Publisher

figshare

Assigned Domain

Subfield

Organic Chemistry

Field

Chemistry

Domain

Physical Sciences

Confidence Score

62%

Source

Scholar Data Model

Keywords

Computational ChemistryCheminformatics30701 Quantum ChemistryFOS: Chemical sciencesQuantum MechanicsComputational Biology

Normalization Factors

13.46

CTw

1.00

MTw

1.00