IUPAC defines constitution and conformations, which in turn defines all molecules and materials through the specific connectivity of distinct sets of atoms placed at specific relative coordinates (x,y ...
A study published in Nature Physics provides new molecular-level evidence from simulations that liquid water is not a single uniform substance, but a constantly shifting mixture of two distinct ...
Nuclear magnetic resonance (NMR) spectroscopy stands as the most informative and widely used technique for molecular structure elucidation in organic chemistry 1. Unlike mass spectrometry or infrared ...
A research team has developed an artificial intelligence (AI) system that proposes suitable molecular structures from the raw data of spectroscopic measurements and assesses their plausibility. The ...
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