Cyclic-N3. II. Significant geometric phase effects in the vibrational spectra.
Babikov D, Kendrick BK, Zhang P, Morokuma K.
Babikov D, et al.
J Chem Phys. 2005 Jan 22;122(4):44315. doi: 10.1063/1.1824905.
J Chem Phys. 2005.
PMID: 15740256
A coupled-channel approach using the hyperspherical coordinates and the recently published ab initio potential energy surface [D. Babikov, P. Zhang, and K. Morokuma, J. Chem. Phys. 121, 6743 (2004)] is employed. ...In the second set, the generalized Born-Oppenhimer …
A coupled-channel approach using the hyperspherical coordinates and the recently published ab initio potential energy surface [D. …