Xiang Huang

4PUBLICATIONS
5CO-AUTHORS
Theoretical quantum chemistryChemical thermodynamics and energeticsOrganometallic chemistryCeramics
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Publications (4)

|May 16, 2023
Ab initio simulation of peak evolutions and beating maps for electronic two-dimensional signals of a polyatomic chromophore.

Siying Zhan, Maxim F Gelin, Xiang Huang

|Jun 21, 2022
<i>Ab initio</i> trajectory surface-hopping dynamics studies of excited-state proton-coupled electron transfer reactions in trianisoleheptazine-phenol complexes.

Xiang Huang, Wolfgang Domcke

|Jun 01, 2021
Triangular boron carbon nitrides: an unexplored family of chromophores with unique properties for photocatalysis and optoelectronics.

Sebastian Pios, Xiang Huang, Andrzej L Sobolewski

|Sep 22, 2019
Partitioning of Interstitial Segregants during Decohesion: A DFT Case Study of the Σ3 Symmetric Tilt Grain Boundary in Ferritic Steel.

Xiang Huang, Rebecca Janisch

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Frequent Collaborators

2 joint publications

Wolfgang Domcke

1 joint publications

Rebecca Janisch

1 joint publications

Andrzej L Sobolewski

1 joint publications

Maxim F Gelin