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Stephan Irle
AD Scientific Index 2024
Natural Sciences / Physics
Oak Ridge National Laboratory - Oak Ridge / United States
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Stephan Irle's MOST POPULAR ARTICLES
1-)
Recent developments in the general atomic and molecular electronic structure systemGMJ Barca, C Bertoni, L Carrington, D Datta, N De Silva, JE Deustua, ...The Journal of Chemical Physics 152 (15), 154102, 20205692020
2-)
DFTB+, a software package for efficient approximate density functional theory based atomistic simulationsB Hourahine, B Aradi, V Blum, F Bonafé, A Buccheri, C Camacho, ...The Journal of chemical physics 152 (12), 124101, 20205822020
3-)
Conjugated organic framework with three-dimensionally ordered stable structure and delocalized π cloudsJ Guo, Y Xu, S Jin, L Chen, T Kaji, Y Honsho, MA Addicoat, J Kim, A Saeki, ...Nature communications 4 (1), 2736, 20135812013
4-)
High‐Rate Charge‐Carrier Transport in Porphyrin Covalent Organic Frameworks: Switching from Hole to Electron to Ambipolar ConductionX Feng, L Liu, Y Honsho, A Saeki, S Seki, S Irle, Y Dong, A Nagai, D JiangAngewandte Chemie International Edition 51 (11), 2618-2622, 20124422012
5-)
In Operando X-ray Absorption Fine Structure Studies of Polyoxometalate Molecular Cluster Batteries: Polyoxometalates as Electron SpongesH Wang, S Hamanaka, Y Nishimoto, S Irle, T Yokoyama, H Yoshikawa, ...Journal of the American Chemical Society 134 (10), 4918-4924, 20124192012
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