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 …