Tracing the 267 nm-Induced Radical Formation in Dimethyl Disulfide Using Time-Resolved X‑ray Absorption Spectroscopy
Schnorr, Kirsten, Bhattacherjee, Aditi, Oosterbaan, Katherine J, Delcey, Mickaël G, Yang, Zheyue, Xue, Tian, Attar, Andrew R, Chatterley, Adam S, Head-Gordon, Martin, Leone, Stephen R, Gessner, Oliver
Published in The journal of physical chemistry letters (21.03.2019)
Published in The journal of physical chemistry letters (21.03.2019)
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Journal Article
Synthesis of Flexible Polyamide Aerogels Cross-Linked with a Tri-Isocyanate
Scheiman, Daniel A., Guo, Haiquan, Oosterbaan, Katherine J., McCorkle, Linda, Nguyen, Baochau N.
Published in Gels (07.08.2024)
Published in Gels (07.08.2024)
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Generalized single excitation configuration interaction: an investigation into the impact of the inclusion of non-orthogonality on the calculation of core-excited states
Oosterbaan, Katherine J, White, Alec F, Hait, Diptarka, Head-Gordon, Martin
Published in Physical chemistry chemical physics : PCCP (15.04.2020)
Published in Physical chemistry chemical physics : PCCP (15.04.2020)
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Journal Article
Accurate core excitation and ionization energies from a state-specific coupled-cluster singles and doubles approach
Arias-Martinez, Juan E, Cunha, Leonardo A, Oosterbaan, Katherine J, Lee, Joonho, Head-Gordon, Martin
Published in Physical chemistry chemical physics : PCCP (14.09.2022)
Published in Physical chemistry chemical physics : PCCP (14.09.2022)
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Journal Article
Erratum: "Non-orthogonal configuration interaction with single substitutions for the calculation of core-excited states" [J. Chem. Phys. 149, 044116 (2018)]
Oosterbaan, Katherine J, White, Alec F, Head-Gordon, Martin
Published in The Journal of chemical physics (07.10.2018)
Published in The Journal of chemical physics (07.10.2018)
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Journal Article
Accurate core excitation and ionization energies from a state-specific coupled-cluster singles and doubles approach
Arias-Martinez, Juan E., Cunha, Leonardo A., Oosterbaan, Katherine J., Lee, Joonho, Head-Gordon, Martin
Published in Physical chemistry chemical physics : PCCP (17.08.2022)
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Published in Physical chemistry chemical physics : PCCP (17.08.2022)
Journal Article
Generalized single excitation configuration interaction: an investigation into the impact of the inclusion of non-orthogonality on the calculation of core-excited states
Oosterbaan, Katherine J., White, Alec F., Hait, Diptarka, Head-Gordon, Martin
Published in Physical chemistry chemical physics : PCCP (31.03.2020)
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Published in Physical chemistry chemical physics : PCCP (31.03.2020)
Journal Article
Revisiting the π → π transition of the nitrite ion at the air/water interface: A combined experimental and theoretical study
Mizuno, Hikaru, Oosterbaan, Katherine J., Menzl, Georg, Smith, Jacklin, Rizzuto, Anthony M., Geissler, Phillip L., Head-Gordon, Martin, Saykally, Richard J.
Published in Chemical physics letters (16.07.2020)
Published in Chemical physics letters (16.07.2020)
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Journal Article
Accurate core excitation and ionization energies from a state-specific coupled-cluster singles and doubles approach
Arias-Martinez, Juan E, Cunha, Leonardo A, Oosterbaan, Katherine J, Lee, Joonho, Head-Gordon, Martin
Published in arXiv.org (12.07.2022)
Published in arXiv.org (12.07.2022)
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Journal Article
Computing X-ray absorption spectra from linear-response particles atop optimized holes
Hait, Diptarka, Oosterbaan, Katherine J, Carter-Fenk, Kevin, Head-Gordon, Martin
Published in arXiv.org (25.03.2022)
Published in arXiv.org (25.03.2022)
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Accurate prediction of core-level spectra of radicals at density functional theory cost via square gradient minimization and recoupling of mixed configurations
Hait, Diptarka, Haugen, Eric A, Yang, Zheyue, Oosterbaan, Katherine J, Leone, Stephen R, Head-Gordon, Martin
Published in arXiv.org (21.09.2020)
Published in arXiv.org (21.09.2020)
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