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 ...
Since the 1980s, researchers have sought to use laser light to control chemical reactions relevant to photochemistry, ...
The Structural Isomer Cumulative molecular fingerprint (SIC) provides a standardized framework for representing datasets consisting of structurally isomeric compounds Next, we compared the ...
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 ...
What if the vast amounts of data generated by molecular dynamics simulations could be routinely shared and reused? A new €10 ...
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