| Triangular boron carbon nitrides: An unexplored family of chromophores with unique properties for photocatalysis and optoelectronics S Pios, X Huang, AL Sobolewski, W Domcke Physical Chemistry Chemical Physics 23 (23), 12968-12975, 2021 | 34 | 2021 |
| Ab initio surface-hopping simulation of femtosecond transient-absorption pump–probe signals of nonadiabatic excited-state dynamics using the doorway–window representation MF Gelin, X Huang, W Xie, L Chen, N Došlić, W Domcke Journal of Chemical Theory and Computation 17 (4), 2394-2408, 2021 | 22 | 2021 |
| The role of silicon, vacancies, and strain in carbon distribution in low temperature bainite S Sampath, R Rementeria, X Huang, JD Poplawsky, C Garcia-Mateo, ... Journal of Alloys and Compounds 673, 289-294, 2016 | 20 | 2016 |
| Control of Excited-State Proton-Coupled Electron Transfer by Ultrafast Pump-Push-Probe Spectroscopy in Heptazine-Phenol Complexes: Implications for Photochemical Water Oxidation KL Corp, EJ Rabe, X Huang, J Ehrmaier, ME Kaiser, AL Sobolewski, ... The Journal of Physical Chemistry C 124 (17), 9151-9160, 2020 | 19 | 2020 |
| Corp, KL; Schlenker, C. W.; Sobolewski, AL; Domcke, W. Molecular Design of Heptazine-Based Photocatalysts: Effect of Substituents on Photocatalytic Efficiency and Photostability J Ehrmaier, X Huang, EJ Rabe J. Phys. Chem. A 124 (19), 3698-3710, 2020 | 19 | 2020 |
| Photoinduced water oxidation in pyrimidine–water clusters: a combined experimental and theoretical study X Huang, JP Aranguren, J Ehrmaier, JA Noble, W Xie, AL Sobolewski, ... Physical Chemistry Chemical Physics 22 (22), 12502-12514, 2020 | 18 | 2020 |
| Ab Initio Nonadiabatic Surface-Hopping Trajectory Simulations of Photocatalytic Water Oxidation and Hydrogen Evolution with the Heptazine Chromophore X Huang, W Domcke The Journal of Physical Chemistry A 125 (45), 9917-9931, 2021 | 13 | 2021 |
| Ab initio quasiclassical simulation of femtosecond time-resolved two-dimensional electronic spectra of pyrazine X Huang, W Xie, N Došlić, MF Gelin, W Domcke The Journal of Physical Chemistry Letters 12 (48), 11736-11744, 2021 | 12 | 2021 |
| Molecular design of heptazine-based photocatalysts: effect of substituents on photocatalytic efficiency and photostability J Ehrmaier, X Huang, EJ Rabe, KL Corp, CW Schlenker, AL Sobolewski, ... The Journal of Physical Chemistry A 124 (19), 3698-3710, 2020 | 12 | 2020 |
| Barrierless heptazine-driven excited state proton-coupled electron transfer: implications for controlling photochemistry of carbon nitrides and aza-arenes EJ Rabe, KL Corp, X Huang, J Ehrmaier, RG Flores, SL Estes, ... The Journal of Physical Chemistry C 123 (49), 29580-29588, 2019 | 12 | 2019 |
| Tuning UV Pump X-ray Probe Spectroscopy on the Nitrogen K Edge Reveals the Radiationless Relaxation of Pyrazine: Ab Initio Simulations Using the … T Kaczun, AL Dempwolff, X Huang, MF Gelin, W Domcke, A Dreuw The Journal of Physical Chemistry Letters 14 (24), 5648-5656, 2023 | 7 | 2023 |
| Partitioning of interstitial segregants during decohesion: A DFT case study of the Σ3 symmetric tilt grain boundary in ferritic steel X Huang, R Janisch Materials 12 (18), 2971, 2019 | 7 | 2019 |
| Can Hydrated Electrons be Produced from Water with Visible Light? S Pios, X Huang, W Domcke ChemPhotoChem 5 (7), 680-690, 2021 | 4 | 2021 |
| Ab initio trajectory surface-hopping dynamics studies of excited-state proton-coupled electron transfer reactions in trianisoleheptazine–phenol complexes X Huang, W Domcke Physical Chemistry Chemical Physics 24 (26), 15925-15936, 2022 | 3 | 2022 |
| Ab initio simulation of peak evolutions and beating maps for electronic two-dimensional signals of a polyatomic chromophore S Zhan, MF Gelin, X Huang, K Sun The Journal of Chemical Physics 158 (19), 2023 | 1 | 2023 |
| Ab Initio On-the-Fly Trajectory Surface-Hopping Dynamics: Photocatalytic Water-Splitting Reaction and Femtosecond Pump-Probe Spectroscopy X Huang Technische Universität München, 2022 | | 2022 |
| Control of Excited-State Proton-Coupled Electron Transfer by Ultrafast Pump-Push-Probe Spectroscopy in Heptazine-Phenol Complexes: Implications for Photochemical Water Oxidation L Kathryn, EJ Rabe, X Huang, J Ehrmaier, ME Kaiser, L Andrzej | | |
