Stephan Irle

Recent developments in the general atomic and molecular electronic structure system

Giuseppe M. J. Barca, Colleen Bertoni, Laura Carrington et al. · The Journal of Chemical Physics · 2020 · 1.4K citations · Full text

Natural Sciences, Chemistry, Physics +15

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

B. Hourahine, Bálint Aradi, Volker Blüm et al. · The Journal of Chemical Physics · 2020 · 1.2K citations · Full text

Natural Sciences, Chemistry, Physics +17

Conjugated organic framework with three-dimensionally ordered stable structure and delocalized π clouds

Jia Guo, Yanhong Xu, Shangbin Jin et al. · Nature Communications · 2013 · 680 citations · Full text

Natural Sciences, Chemistry, Materials Science +13

In Operando X-ray Absorption Fine Structure Studies of Polyoxometalate Molecular Cluster Batteries: Polyoxometalates as Electron Sponges

Heng Wang, Shun Hamanaka, Yoshio Nishimoto et al. · Journal of the American Chemical Society · 2012 · 458 citations

Natural Sciences, Materials Engineering, Materials Science +17

Locking Covalent Organic Frameworks with Hydrogen Bonds: General and Remarkable Effects on Crystalline Structure, Physical Properties, and Photochemical Activity

Xiong Chen, Matthew A. Addicoat, Lipeng Zhai et al. · Journal of the American Chemical Society · 2015 · 439 citations

Natural Sciences, Chemistry, Materials Science +17