PyFrag 2019 - Automating the exploration and analysis of reaction mechanisms. - Xiaobo Sun; Thomas M. Soini; Jordi Poater; Trevor A. Hamlin; Friedrich Matthias Bickelhaupt (J. Comput. Chem., 2019)

Performance of TDDFT Vertical Excitation Energies of Core-Substituted Naphthalene Diimides. - Ayush K. Narsaria; Julian D. Ruijter; Trevor A. Hamlin; Andreas W. Ehlers; Célia Fonseca Guerra; Koop Lammertsma; Friedrich Matthias Bickelhaupt (J. Comput. Chem., 2020)

Cover Image. - Lucas de Azevedo Santos; Teodorico C. Ramalho; Trevor A. Hamlin; Friedrich Matthias Bickelhaupt (J. Comput. Chem., 2021)

Chalcogen bonds: Hierarchical ab initio benchmark and density functional theory performance study. - Lucas de Azevedo Santos; Teodorico C. Ramalho; Trevor A. Hamlin; Friedrich Matthias Bickelhaupt (J. Comput. Chem., 2021)

Rational design of iron catalysts for C-X bond activation. - Xiaobo Sun; Thomas Hansen; Jordi Poater; Trevor A. Hamlin; Friedrich Matthias Bickelhaupt (J. Comput. Chem., 2023)