A new "spectroscopic" potential energy surface for formaldehyde in its ground electronic state.
Yachmenev A, Yurchenko SN, Jensen P, Thiel W.
Yachmenev A, et al. Among authors: jensen p.
J Chem Phys. 2011 Jun 28;134(24):244307. doi: 10.1063/1.3599927.
J Chem Phys. 2011.
PMID: 21721630
Ro-vibrational energies of formaldehyde were determined variationally for this ab initio PES by means of the program TROVE [Theoretical ROtation-Vibration Energies; S. N. Yurchenko, W. Thiel, and P. Jensen, J. Mol. Spectrosc. 245, 126 (2007)]. The parameter values i …
Ro-vibrational energies of formaldehyde were determined variationally for this ab initio PES by means of the program TROVE [Theoretical ROta …