Frustrated Lewis pair-mediated hydro-dehalogenation: crucial role of non-covalent interactions
H Mondal, PK Chattaraj - Journal of Molecular Modeling, 2024 - Springer
Methods Geometry optimizations were carried out at the M06-2X/def2-SVP level of theory,
which was performed using the Gaussian 16 program. Solvent-corrected single-point …
which was performed using the Gaussian 16 program. Solvent-corrected single-point …
Computational design for enantioselective CO2 capture: asymmetric frustrated Lewis pairs in epoxide transformations
M Ferrer, I Iribarren, T Renningholtz… - Beilstein Journal of …, 2024 - beilstein-journals.org
Carbon capture and utilisation (CCU) technologies offer a compelling strategy to mitigate
rising atmospheric carbon dioxide levels. Despite extensive research on the CO 2 insertion …
rising atmospheric carbon dioxide levels. Despite extensive research on the CO 2 insertion …