Yirong Mo

56PUBLICATIONS
26CO-AUTHORS
Computational chemistryCatalysis and mechanisms of reactionsNonlinear optics and spectroscopySurface properties of condensed matterStatistical mechanics in chemistry
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Publications (56)

|Jun 12, 2026
"In Situ" Orbital Correlations.

|Feb 12, 2026
Craig Excited-State Aromaticity in Metallabenzenes: How, When, and Why?

Xuhui Lin, Mingyang Wei, Yirong Mo

|Jan 21, 2026
The limit of the current aromaticity concept.

Amnon Stanger, Jordi Poater, Yirong Mo

|Oct 29, 2025
Distinct Difference in the Geometries of NCCL<sup>-</sup> Anions (L = N<sub>2</sub>, CO, CS): A Balance Between π Conjugation and Steric Repulsion.

Jia Wei, Rui Ma, Jinshuai Song

|Oct 23, 2025
Energy Decomposition Analysis of the Activation of CO<sub>2</sub> by Frustrated Lewis Pairs.

Manoj Wijesingha, Xinru Peng, Nathan Hoang

|Oct 09, 2025
Chemical Bonding from the Perspective of <i>In Situ</i> Orbital Correlation.

Xuhui Lin, Yirong Mo

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Frequent Collaborators

9 joint publications

Xuhui Lin

6 joint publications

Sason Shaik

6 joint publications

Wei Wu

4 joint publications

Fang Ma