2 papers
physics.chem-ph2018
Next-Generation Quantum Theory of Atoms in Molecules for the Ground and Excited States of Fulvene
Wei Jie Huang, Roya Momen, Alireza Azizi +4
A vector-based representation of the chemical bond is introduced that we refer to as the bond-path frame-work set = , where , and represent thr…
physics.chem-ph2018
Predicting Competitive and Non-Competitive Torquoselectivity in Ring-Opening Reactions using QTAIM and the Stress Tensor
Alireza Azizi, Roya Momen, Alejandro Morales-Bayuelo +3
We present a new vector-based representation of the chemical bond referred to as the bond-path frame-work set , where , and represent three paths…