Spectroscopy in Complex Environments from QM-MM Simulations.
Sign Up to like & getrecommendations! Published in 2018 at "Chemical reviews"
DOI: 10.1021/acs.chemrev.8b00026
Abstract: The applications of multiscale quantum-classical (QM-MM) approaches have shown an extraordinary expansion and diversification in the last couple of decades. A great proportion of these efforts have been devoted to interpreting and reproducing spectroscopic experiments… read more here.
Keywords: environments simulations; spectroscopy complex; complex environments; spectroscopy ... See more keywords
Quantitative NMR spectroscopy of complex mixtures.
Sign Up to like & getrecommendations! Published in 2023 at "Chemical communications"
DOI: 10.1039/d3cc01455j
Abstract: Complex mixtures are ubiquitous in many branches of chemistry, be it a complex pharmaceutical formulation, a collection of biofluids analysed in a metabolomics workflow, or a flowing mixture in a reaction monitoring setting. The accurate… read more here.
Keywords: complex mixtures; spectroscopy; quantitative nmr; spectroscopy complex ... See more keywords