β-Trifluoromethylated nitroethenes in Diels-Alder reaction with cyclopentadiene: A DFT computational study
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Fluorine Chemistry"
DOI: 10.1016/j.jfluchem.2017.12.008
Abstract: Abstract Mechanistic aspects of reactions between β-trifluoromethylated nitroethenes and cyclopentadiene has been examined using DFT computational methods It was found, that all considered processes have a polar nature. This polar character is given by the… read more here.
Keywords: nitroethenes diels; diels alder; trifluoromethylated nitroethenes; alder reaction ... See more keywords
Combined DFT-D3 Computational and Experimental Studies on g-C3N4: New Insight into Structure, Optical, and Vibrational Properties
Sign Up to like & getrecommendations! Published in 2023 at "Materials"
DOI: 10.3390/ma16103644
Abstract: Graphitic carbon nitride (g-C3N4) has emerged as one of the most promising solar-light-activated polymeric metal-free semiconductor photocatalysts due to its thermal physicochemical stability but also its characteristics of environmentally friendly and sustainable material. Despite the… read more here.
Keywords: studies c3n4; dft computational; computational experimental; experimental studies ... See more keywords