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Chemistry (Weinheim an Der Bergstrasse, Germany)|August 11, 2026
Investigating the Electrochemical Double Layer with Quantum-Chemical Simulations and Implicit Solvation ModelsAlessandro Mangiameli, Christopher J SteinPhysical Chemistry Chemical Physics : PCCP|February 16, 2026
Correction: Benchmarking DFT-based excited-state methods for intermolecular charge-transfer excitationsNicola Bogo, Christopher J SteinThe Journal of Physical Chemistry. A|February 28, 2023
A Statistical Perspective on MicrosolvationMohammad Rahbar, Christopher J SteinChimia|April 28, 2017
Automated Identification of Relevant Frontier Orbitals for Chemical Compounds and ProcessesChristopher J Stein, Markus ReiherAngewandte Chemie (International Ed. in English)|August 7, 2025
Efficient Electronic-Structure Methods Toward Catalyst Screening: Projection-Based Embedding Theory for CO2 Reduction Reaction IntermediatesElena Kolodzeiski, Christopher J SteinJournal of Chemical Theory and Computation|March 10, 2016
Automated Selection of Active Orbital SpacesChristopher J Stein, Markus ReiherJournal of Chemical Theory and Computation|September 29, 2023
Automated, Consistent, and Even-Handed Selection of Active Orbital Spaces for Quantum EmbeddingElena Kolodzeiski, Christopher J SteinChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 11, 2026
Short-Range Machine-Learning Potentials for Aqueous Electrolyte SolutionsLisa Hetzel, Christopher J SteinPhysical Chemistry Chemical Physics : PCCP|July 31, 2024
Benchmarking DFT-based excited-state methods for intermolecular charge-transfer excitationsNicola Bogo, Christopher J SteinThe Journal of Physical Chemistry. A|March 19, 2020
Semiclassical Dispersion Corrections Efficiently Improve Multiconfigurational Theory with Short-Range Density-Functional Dynamic CorrelationChristopher J Stein, Markus ReiherPageof 4