The anharmonic force field of 1,3-cyclopentadienes.
Cané E, Trombetti A.
Cané E, et al.
Phys Chem Chem Phys. 2009 Apr 14;11(14):2428-32. doi: 10.1039/b820716j. Epub 2009 Feb 19.
Phys Chem Chem Phys. 2009.
PMID: 19325975
The RMSD value, identical to that obtained for naphthalene (E. Cane, A. Miani and A. Trombetti, J. Phys. Chem. A, 2007, 111, 8218), indicates that computations based on this method can be confidently extended to larger polycyclic aromatic hydrocarbons....
The RMSD value, identical to that obtained for naphthalene (E. Cane, A. Miani and A. Trombetti, J. Phys. Chem. A, 2007, 111, 8 …