This research aims to create a detailed model of the intermolecular interactions between benzene and methane in their van der Waals complex.
Developed a six-dimensional model for the van der Waals complex.
Calculated the intermolecular potential energy surface (IPS).
Analyzed vibrational states related to the complex.
Provided a comprehensive representation of the intermolecular potential.
Identified key vibrational states of the benzene-methane complex.
Abstract
We have developed a six-dimensional (6D) model to describe the intermolecular potential energy surface (IPS) pertinent to binary van der Waals (vdW) complexes composed of a benzene (Bz) and a...