Quantum Nature of Ubiquitous Vibrational Features Revealed for Ethylene Glycol
Sign Up to like & getrecommendations! Published in 2025 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.5c00173
Abstract: Vibrational properties of molecules are of widespread interest and importance in chemistry and biochemistry. The reliability of widely employed approximate computational methods is questioned here against the complex experimental spectrum of ethylene glycol. Comparisons between… read more here.
Keywords: ethylene glycol; vscf vci; nature ubiquitous; quantum nature ... See more keywords
Toward the identification of cyano-astroCOMs via vibrational features: benzonitrile as a test case
Sign Up to like & getrecommendations! Published in 2024 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2024.1439194
Abstract: The James Webb Space Telescope (JWST) opened a new era for the identification of molecular systems in the interstellar medium (ISM) by vibrational features. One group of molecules of increasing interest is cyano-derivatives of aromatic… read more here.
Keywords: identification cyano; cyano astrocoms; toward identification; vibrational features ... See more keywords