DFT insights into the basicity of some cyclic allenes
Sign Up to like & getrecommendations! Published in 2024 at "Molecular Simulation"
DOI: 10.1080/08927022.2024.2368139
Abstract: ABSTRACT The proton affinity (PA) and gas phase basicity values of previously reported cyclic allene series are investigated using high-level quantum chemical calculations. Some of the studied structures possessed more than one protonation site. All… read more here.
Keywords: basicity cyclic; insights basicity; basicity; dft insights ... See more keywords