Vibration-Rotation States of the Benzene Dimer: AN AB Initio Study

Details Vibration-Rotation States of the Benzene Dimer: AN AB Initio Study Vibration-Rotation States of the Benzene Dimer: AN AB Initio Study

Jun 2010

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010mss..conferj12v&link_type=abstract

"International Symposium On Molecular Spectroscopy, 65th Meeting, Held 21-25 June, 2010 at Ohio State University. http://molspec

Computer Science

Theory

Scientific paper

An improved intermolecular potential surface for the benzene dimer has been constructed from interaction energies computed by symmetry-adapted perturbation theory with the inclusion of third-order contributions. The potential was used in calculations of vibration-rotation-tunneling levels of the dimer by a method appropriate for large amplitude intermolecular motions and tunneling between multiple equivalent minima in the potential. The resulting levels were analyzed using the permutation-inversion full cluster tunneling group G576 and a chain of subgroups that starts from the molecular symmetry group C_s(M) of the rigid dimer at its equilibrium C_s geometry and leads to G576 if all possible intermolecular tunneling mechanisms are feasible.

Affiliated with

Also associated with

No associations

Rating

Vibration-Rotation States of the Benzene Dimer: AN AB Initio Study does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Vibration-Rotation States of the Benzene Dimer: AN AB Initio Study, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Vibration-Rotation States of the Benzene Dimer: AN AB Initio Study will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-1592905