Ma, Jing published the artcileProton transfer reaction of the formamide and its derivatives characterized via the Kohn-Sham potential, HPLC of Formula: 123-39-7, the main research area is formamide derivative proton transfer reaction Kohn Sham potential.
Proton transfer (PT) reaction plays a critical role in chem. and biol. processes, but the bond breaking and forming during the reaction as well as the charge change are rarely concerned. In this work, Kohn-Sham potential (KSpot) quantum chem. topol. (QCT) method is used to partition a mol. into resp. basins and yield a new at. charge model. The bond critical point and Dpb gained from KSpot are applied to determine chem. bond forming and estimate the bond strength, resp. Moreover, KSpot mol. face has been defined by the KSpot that presents the reactive site of formamide during PT process. In general, KSpot method can present the charge change, visualize reactive sites and quantify the chem. bond strength in the PT process, which can be considered as the cornerstone for other chem. reactions.
Computational & Theoretical Chemistry published new progress about Activation energy. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, HPLC of Formula: 123-39-7.
Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics