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The Journal of Chemical Physics|November 15, 2022
An efficient implementation of the GOSTSHYP pressure model by applying shell-bounding Gaussian 1-electron-3-center integral screeningFelix Zeller, Eric Berquist, Evgeny Epifanovsky, et al.
The Journal of Chemical Physics|April 19, 2024
JEDI: A versatile code for strain analysis of molecular and periodic systems under deformationHenry Wang, Sanna Benter, Wilke Dononelli, et al.
Journal of Computational Chemistry|January 27, 2025
Achieving Pressure Consistency in Mechanochemical Simulations of Chemical Reactions Under PressureJonas Bentrup, Rahel Weiß, Felix Zeller, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|February 10, 2026
Ab Initio Calculation of Energy Gap and Optical Gap of Organic Semiconductors PTCDA and PDIChieh-Min Hsieh, Tanja Link, Michael Maas, et al.
Journal of the American Chemical Society|November 7, 2024
Accelerated Mechanochemical Bond Scission and Stabilization against Heat and Light in Carbamoyloxime MechanophoresSimay Aydonat, Davide Campagna, Sourabh Kumar, et al.
Acta Crystallographica. Section E, Crystallographic Communications|November 8, 2023
Synthesis and crystal structure of 2-(anthracen-9-yl)-1-(<i>tert</i>-butyl-dimethyl-sil-yl)-3,6-di-hydro-1λ<sup>4</sup>,2λ<sup>4</sup>-aza-borininePhilipp J Gliese, Yannik Appiarius, Tarek Scheele, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 10, 2022
Can a Finite Chain of Hydrogen Cyanide Molecules Model a Crystal?Chieh-Min Hsieh, Björn Grabbet, Felix Zeller, et al.
Journal of Natural Products|September 21, 2022
Alliacane-Type Secondary Metabolites from Submerged Cultures of the Basidiomycete <i>Clitocybe nebularis</i>Hedda Schrey, Tarek Scheele, Conrad Ulonska, et al.
Chemical Science|February 19, 2026
How to evaluate aromaticity under pressure? Benzene as a benchmark systemJochen Eeckhoudt, Alexander Dellwisch, Annelene Plump, et al.
Chemical Science|January 5, 2024
Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groupsYannik Appiarius, Sandra Míguez-Lago, Pim Puylaert, et al.
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