This diagram shows the rotational motion of a specific water molecule. On average, at equilibrium, the energy associated with rotational motion must equal the energy associated with the translation of …
Image source: CC0 Public Domain Hello, interested parties. (This is a non-gendered term I’ve been discussing because I see “people” in too many social media posts.) Researchers this week reported …
C2H4 Rotation barrier potential energy surface calculated from CASSCF(12,12)/ACSE, CCSD(T), PBE-RDMFT, SCAN-RDMFT, PBE-DFT, SCAN-DFT and CASSCF(12,12)/tPBE using cc – pVDZ basis set. Credit: Physical Review Letters (2023). DOI: 10.1103/PhysRevLett.131.243003 Like …