New Insights into the Catalytic Activity of Cobalt Orthophosphate Co 3 (PO 4 ) 2 from Charge Density Analysis
(opens in new window)
Author(s):
Helena Keil, Matti Hellström, Claudia Stückl, Regine Herbst‐Irmer, Jörg Behler, Dietmar Stalke
Published in:
Chemistry – A European Journal, Issue 25/69, 2019, Page(s) 15786-15794, ISSN 0947-6539
Publisher:
John Wiley & Sons Ltd.
DOI:
10.1002/chem.201902303
Temperature effects on the ionic conductivity in concentrated alkaline electrolyte solutions
(opens in new window)
Author(s):
Yunqi Shao, Matti Hellström, Are Yllö, Jonas Mindemark, Kersti Hermansson, Jörg Behler, Chao Zhang
Published in:
Physical Chemistry Chemical Physics, Issue 22/19, 2020, Page(s) 10426-10430, ISSN 1463-9076
Publisher:
Royal Society of Chemistry
DOI:
10.1039/c9cp06479f
PiNN: A Python Library for Building Atomic Neural Networks of Molecules and Materials
(opens in new window)
Author(s):
Yunqi Shao, Matti Hellström, Pavlin D. Mitev, Lisanne Knijff, Chao Zhang
Published in:
Journal of Chemical Information and Modeling, Issue 60/3, 2020, Page(s) 1184-1193, ISSN 1549-9596
Publisher:
American Chemical Society
DOI:
10.1021/acs.jcim.9b00994
