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)

Book review: The Periodic Table: Its Story and Its Significance. - W. H. E. Schwarz (J. Comput. Chem., 2010)

Ionic bonding of lanthanides, as influenced by d- and f-atomic orbitals, by core-shells and by relativity. - Wen-Xin Ji; Wei Xu; W. H. Eugen Schwarz; Shu-Guang Wang (J. Comput. Chem., 2015)

Nine questions on energy decomposition analysis. - Juan Andrés; Paul W. Ayers; Roberto Álvarez Boto; Ramon Carbó-Dorca; Henry Chermette; Jerzy Cioslowski; Julia Contreras-Garcia; David L. Cooper; Gernot Frenking; Carlo Gatti; Farnaz Heidar-Zadeh; Laurent Joubert; et al. (J. Comput. Chem., 2019)

On the highest oxidation states of the actinoids in AnO4 molecules (An = Ac - Cm): A DMRG-CASSCF study. - Jun-Bo Lu; Xue-Lian Jiang; Jia-Qi Wang; Han-Shi Hu; W. H. Eugen Schwarz; Jun Li 055 (J. Comput. Chem., 2023)

Clarification of Some Bonding Concepts: Virial Theorem, Electron Pair Repulsion, and Rotational Barriers. - W. H. Eugen Schwarz; Gernot Frenking; Sudip Pan (J. Comput. Chem., 2025)