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physics.chem-ph2018
Stress Tensor Eigenvector Following with Next-Generation Quantum Theory of Atoms in Molecules
Jia Hui Li, Wei Jie Huang, Tianlv Xu +2
The eigenvectors of the electronic stress tensor have been identified as useful for the prediction of chemical reactivity because they determine the most preferred directions to mo…
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…