Dependence of relativistic effects on electronic configuration in the neutral atoms of d- and f-block elements. - Jochen Autschbach; S. Siekierski; M. Seth; Peter Schwerdtfeger; W. H. E. Schwarz (J. Comput. Chem., 2002)

Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table. - Francesco Aquilante; Jochen Autschbach; Rebecca K. Carlson; Liviu F. Chibotaru; Mickaël G. Delcey; Luca De Vico; Ignacio Fdez. Galván; Nicolas Ferré; Luis Manuel Frutos; Laura Gagliardi; Marco Garavelli; Angelo Giussani; et al. (J. Comput. Chem., 2016)

Computational mechanistic studies on persulfate assisted p-phenylenediamine polymerization. - Yusif Abdullayev; Ramil Rzayev; Jochen Autschbach (J. Comput. Chem., 2022)

Computational exploration of the copper(I)-catalyzed conversion of hydrazones to dihalogenated vinyldiazene derivatives. - Ulviyya Askerova; Yusif Abdullayev; Namiq Shikhaliyev; Abel Maharramov; Valentine G. Nenajdenko; Jochen Autschbach (J. Comput. Chem., 2024)

Can Water Trigger Room-Temperature Formation of Benzofuran-2(3H)-one Scaffolds From Vinyldiazene Derivatives? Computational Insights Into an Unusual Cyclization. - Ulviyya Askerova; Yusif Abdullayev; Namiq Shikhaliyev; Avtandil Talybov; Jochen Autschbach (J. Comput. Chem., 2025)