Accurate prediction of core-level spectra of radicals at density functional theory cost via square gradient minimization and recoupling of mixed configurations D Hait, EA Haugen, Z Yang, KJ Oosterbaan, SR Leone, M Head-Gordon The Journal of chemical physics 153 (13), 2020 | 42 | 2020 |
X-ray transient absorption reveals the 1Au (nπ*) state of pyrazine in electronic relaxation V Scutelnic, S Tsuru, M Pápai, Z Yang, M Epshtein, T Xue, E Haugen, ... Nature communications 12 (1), 5003, 2021 | 40 | 2021 |
Femtosecond symmetry breaking and coherent relaxation of methane cations via x-ray spectroscopy E Ridente, D Hait, EA Haugen, AD Ross, DM Neumark, M Head-Gordon, ... Science 380 (6646), 713-717, 2023 | 19 | 2023 |
Jahn-Teller distortion and dissociation of CCl 4+ by transient X-ray spectroscopy simultaneously at the carbon K-and chlorine L-edge AD Ross, D Hait, V Scutelnic, EA Haugen, E Ridente, MB Balkew, ... Chemical Science 13 (32), 9310-9320, 2022 | 14 | 2022 |
Ultrafast X-ray spectroscopy of intersystem crossing in hexafluoroacetylacetone: chromophore photophysics and spectral changes in the face of electron-withdrawing groups EA Haugen, D Hait, V Scutelnic, T Xue, M Head-Gordon, SR Leone The Journal of Physical Chemistry A 127 (3), 634-644, 2023 | 9 | 2023 |
Spin Coupling Effect on Geometry-Dependent X-Ray Absorption of Diradicals SM Garner, EA Haugen, SR Leone, E Neuscamman Journal of the American Chemical Society 146 (4), 2387-2397, 2024 | 2 | 2024 |
Capturing ring opening in photoexcited enolic acetylacetone upon hydrogen bond dissociation by ultrafast electron diffraction S Leone, V Scutelnic, D Tikhonov, SM Poullain, E Haugen, A Attar, ... | | 2024 |
Femtosecond Symmetry Breaking and Coherent Relaxation of Methane Cations at the Carbon K-Edge E Ridente, D Hait, EA Haugen, AD Ross, DM Neumark, M Head-Gordon, ... arXiv preprint arXiv:2212.12875, 2022 | | 2022 |
Influence of Electron Withdrawing Groups on Ultrafast Intersystem Crossing by Transient X-Ray Absorption Spectroscopy at the Carbon K-Edge EA Haugen, D Hait, V Scutelnic, T Xue, M Head-Gordon, SR Leone arXiv preprint arXiv:2209.13149, 2022 | | 2022 |