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Dataset for "Quantum mechanical dipole moments in the QM7b, 21k molecules of QM9, and MuML showcase datasets"
Max Veit
(Creator)
David Wilkins
(Creator)
Yang Yang
(Creator)
Robert A. DiStasio
(Creator)
Michele Ceriotti
(Creator)
School of Mathematics and Physics
Dataset
Overview
Research output
(1)
Research output
Research output per year
2019
2019
2019
1
Article
Research output per year
Research output per year
1 results
Publication Year, Title
(descending)
Publication Year, Title
(ascending)
Title
Type
Search results
2019
Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases
Yang, Y.
,
Lao, K. U.
,
Wilkins, D. M.
,
Grisafi, A.
,
Ceriotti, M.
&
DiStasio, R. A.
,
19 Aug 2019
,
In:
Scientific Data.
6
,
10 p.
, 152.
Research output
:
Contribution to journal
›
Article
›
peer-review
Open Access
File
Density Functional Theory
100%
Dipole
55%
Density functional theory
50%
Molecules
44%
Data Base
41%
6
Citations (Scopus)
53
Downloads (Pure)