40 citations · 84 across the 15 of their papers we have counts for
15 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…
Mixed Chiral and Achiral Character in Substituted Ethane: A Next Generation QTAIM Perspective
Zi Li, Tianlv Xu, Herbert Früchtl +3
We use the newly introduced spanning stress tensor trajectory -space construction within next generation quantum theory of atoms in molecules (NG-QTAIM) for a chirality invest…
Chiral and Steric Effects in Ethane: A Next Generation QTAIM Interpretation
Zi Li, Tianlv Xu, Herbert Früchtl +3
We introduce a development of next generation quantum theory of atoms in molecules (NG-QTAIM) for an investigation of the chirality of ethane and discover a isomer in additio…
Next-Generation Quantum Theory of Atoms in Molecules for the Ground and Excited State of the Ring-Opening of Cyclohexadiene (CHD)
Tian Tian, Tianlv Xu, Steven R. Kirk +2
The factors underlying the experimentally observed branching ratio (70:30) of the (1,3-cyclohexadiene) CHDHT (1,3,5-hexatriene) photochemical ring-opening reaction are…
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…
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…