Annotation
Intermolecular interactions in propyloxycyanobiphenyl dimers have been studied using the modified Rayleigh-Srodinger perturbation theory (MRS) and the method of atom-atom potentials (AAP). The antiparallel orientation of molecules has been found to be energetically favored. According to the MRS and AAP data, the maximum energy gap between the parallel and antiparallel orientations is 5.7 and 2.9 kcal/mole, respectively .
© 2016 Publisher M.V.Lomonosov Moscow State University
Authors
P.V. Shibaev, M.B. Guseva, and B.M. Kostishko
Faculty of Physics, Moscow State University, Leninskie Gory, Moscow, 119991, Russia
Faculty of Physics, Moscow State University, Leninskie Gory, Moscow, 119991, Russia
Science News of the Faculty of Physics, Lomonosov Moscow State University
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