The Journal of chemical physics
The ro-vibrational spectroscopy of H2NCO (2A') and HNCOH and the peculiar case of their isomers cis- and trans-HNCHO.
Vincent J Esposito, Ryan C Fortenberry, Natalia Inostroza, Paola Caselli, Valerio Lattanzi
Published: 202610.1063/5.0288564
Abstract
While quantum chemical treatment of the prebiotic, astrochemically relevant H2NCO molecule's rotational constants and fundamental vibrational frequencies produces exceptionally accurate values, the cis-HNCHO isomer is more of a challenge to standard…
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