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Bil A, Latajka Z, Biczysko M. Hydrogen detachment driven by a repulsive 1πσ* state - an electron localization function study of 3-amino-1,2,4-triazole. Phys Chem Chem Phys. 2018;20(7):5210-5216doi: 10.1039/c7cp06744e.
Bil, A., Latajka, Z., & Biczysko, M. (2018). Hydrogen detachment driven by a repulsive 1πσ* state - an electron localization function study of 3-amino-1,2,4-triazole. Physical chemistry chemical physics : PCCP, 20(7), 5210-5216. https://doi.org/10.1039/c7cp06744e
Bil, Andrzej, et al. "Hydrogen detachment driven by a repulsive 1πσ* state - an electron localization function study of 3-amino-1,2,4-triazole." Physical chemistry chemical physics : PCCP vol. 20,7 (2018): 5210-5216. doi: https://doi.org/10.1039/c7cp06744e
Bil A, Latajka Z, Biczysko M. Hydrogen detachment driven by a repulsive 1πσ* state - an electron localization function study of 3-amino-1,2,4-triazole. Phys Chem Chem Phys. 2018 Feb 14;20(7):5210-5216. doi: 10.1039/c7cp06744e. PMID: 29394302.
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Phys Chem Chem Phys. 2018 Feb 14;20(7):5210-5216. doi: 10.1039/c7cp06744e.

Hydrogen detachment driven by a repulsive 1πσ* state - an electron localization function study of 3-amino-1,2,4-triazole.

Physical chemistry chemical physics : PCCP

Andrzej Bil, Zdzisław Latajka, Malgorzata Biczysko

Affiliations

  1. Faculty of Chemistry, University of Wroc?aw, F. Joliot-Curie 14, 50-383 Wroc?aw, Poland. [email protected].

PMID: 29394302 DOI: 10.1039/c7cp06744e

Abstract

Electron localization function analysis reveals the details of a charge induced hydrogen detachment mechanism of 3-amino-1,2,4-triazole, identified recently to be responsible for phototautomerization of the molecule. In this process vertical excitation to the

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