9 citations · 10 across the 5 of their papers we have counts for
5 papers
Full symmetry-breaking of electronic and nuclear dynamics for low attosecond resolution of electronic chirality
Tianlv Xu, Jiawen Kong, Tianjing Zhou +5
Attosecond science is an emerging topic where chirality plays a central role. Here we demonstrate subjecting iodoacetylene, a geometrically achiral molecule, to a pair of simulated…
A Vector-Based Representation of the Chemical Bond for the Normal Modes of Benzene
Wei Jie Huang, Alireza Azizi, Tianlv Xu +2
We introduce a vector-based interpretation of the chemical bond within the quantum theory of atoms in molecules (QTAIM), the bond-path framework set , to…
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…
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…
The Role of Weak Interactions in Characterizing Peptide Folding Preferences using a QTAIM Interpretation of the Ramachandran Plot (ϕ-ψ)
Roya Momen, Alireza Azizi, Lingling Wang +6
The Ramachandran plot is a potent way to understand structures of biomolecules, however, the original formulation of the Ramachandran plot only considers backbone conformations. We…