Abstract
Ab initio SCF calculations have been performed for several structures of the benzene dimer. The interaction energies obtained are corrected for basis set superposition error and dispersion energy. In agreement with previous ab initio calculations the T arrangement of the dimer has been found to be favored over the sandwich structure. However, distortion from the T-shape structure(wagging of one ring up to about 30°) is associated only with a marginal change in energy. Possibly it may even lead to the optimum structure.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
