Computational Electrosynthesis: A Perspective on Mechanistic Questions, Methodological Approaches, and Elucidating the Role of the Electrical Double Layer
The Journal of Physical Chemistry C
journal-article
Publications
PyDFT-QMMM: A modular, extensible software framework for DFT-based QM/MM molecular dynamics
The Journal of Chemical Physics
journal-article
Computational Electrosynthesis Study of Anodic Intramolecular Olefin Coupling: Elucidating the Role of the Electrical Double Layer
The Journal of Physical Chemistry C
journal-article
DFT-based QM/MM with particle-mesh Ewald for direct, long-range electrostatic embedding
The Journal of Chemical Physics
journal-article
Reaction of Diphenyldiazomethane with Benzoic Acids in Batch and Continuous Flow
Journal of Chemical Education
journal-article