Spectral analysis and detailed quantum mechanical investigation of some acetanilide analogues and their self-assemblies with graphene and fullerene
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-020-04485-3
Abstract: Spectroscopic analysis and different quantum mechanical studies of four pharmaceutically active compounds phenacetin, p-acetanisidide, 4′-butoxyacetanilide, and 4′-(3-chloropropoxy)acetanilide are reported in this manuscript. Simulated IR spectrum of these compounds was compared with experimentally available data, and… read more here.
Keywords: graphene fullerene; spectral analysis; analysis detailed; self assemblies ... See more keywords
Comparative analysis of detailed and reduced kinetic models for CH4 + H2 combustion
Sign Up to like & getrecommendations! Published in 2019 at "Fuel"
DOI: 10.1016/j.fuel.2019.02.132
Abstract: Directed relation graph with error propagation (DRGEP) method combined with extensive validation for 0D, 1D and 2D CFD modeling supported by sensitivity and Rate-Of-Production (ROP) analyses are implemented for comparative study of detailed and reduced… read more here.
Keywords: detailed reduced; reduced kinetic; analysis detailed; mechanism ... See more keywords