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The last 5 uploaded publications
Electronic structure analysis of multistate reactivity in transition metal catalyzed reactions: the case of C–H bond activation by non-heme iron(iv)–oxo cores
Shengfa Ye, Caiyun Geng, Sason Shaik, Frank Neese (2013). Electronic structure analysis of multistate reactivity in transition metal catalyzed reactions: the case of C–H bond activation by non-heme iron(iv)–oxo cores. Physical Chemistry Chemical Physics, 15(21), pp. 8017-8017, DOI: 10.1039/c3cp00080j.
Article371 days agoUnderstanding the Nature of the CH···HC Interactions in Alkanes
David Danovich, Sason Shaik, Frank Neese, Jorge Echeverría, Gabriel Aullón, Santiago Álvarez (2013). Understanding the Nature of the CH···HC Interactions in Alkanes. Journal of Chemical Theory and Computation, 9(4), pp. 1977-1991, DOI: 10.1021/ct400070j.
Article371 days agoCorrigendum: Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments
Donald G Truhlar, Philippe C. Hiberty, Sason Shaik, Mark S. Gordon, David Danovich (2020). Corrigendum: Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments. , 59 (31), DOI: https://doi.org/10.1002/anie.202007475.
Corrigendum10 days agoBerichtigung: Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments
Donald G Truhlar, Philippe C. Hiberty, Sason Shaik, Mark S. Gordon, David Danovich (2020). Berichtigung: Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments. , 132(31), DOI: https://doi.org/10.1002/ange.202007475.
Article10 days agoOrbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments
Donald G Truhlar, Philippe C. Hiberty, Sason Shaik, Mark S. Gordon, David Danovich (2019). Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments. , 58(36), DOI: https://doi.org/10.1002/anie.201904609.
Article10 days ago