Christopher J. Stein

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng et al. · The Journal of Chemical Physics · 2021 · 1.3K citations · Full text

OpenMolcas: From Source Code to Insight

Ignacio Fdez. Galván, Morgane Vacher, Ali Alavi et al. · Journal of Chemical Theory and Computation · 2019 · 1.1K citations · Full text

Software Maintenance, Engineering, Software Engineering +23

Modern quantum chemistry with [Open]Molcas

Francesco Aquilante, Jochen Autschbach, Alberto Baiardi et al. · The Journal of Chemical Physics · 2020 · 482 citations · Full text

Magnetic Properties, Chemical Applications, Engineering +9

Automated Selection of Active Orbital Spaces

Christopher J. Stein, Markus Reiher · Journal of Chemical Theory and Computation · 2016 · 334 citations · Full text

Cooperative Light‐Activated Iodine and Photoredox Catalysis for the Amination of C−H Bonds

Peter Becker, Thomas Duhamel, Christopher J. Stein et al. · Angewandte Chemie International Edition · 2017 · 196 citations · Full text

Chemical Engineering, Photoredox Catalysis, Engineering +12