Reposted by Lucille Kuster
ORCA 6.1 (@faccts.de & @orca-qc-official.bsky.social) will bring many exciting new features. In the next weeks, we would like to preview some of them for you today starting with spectroscopy. Stay tuned for more!
#ORCA61 #ORCAqc #CompChem #QuantumChem #ChemSky #CompChemSky #NMR #EPR #Raman