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From unbound to bound states: Ab initio molecular dynamics of ammonia clusters with an excess electron.
J Chem Phys. 2024 Oct 14;161(14):144302. doi: 10.1063/5.0224249.
J Chem Phys. 2024.
PMID: 39378163
Stability and Reactivity of Aromatic Radical Anions in Solution with Relevance to Birch Reduction.
Nemirovich T, Young B, Brezina K, Mason PE, Seidel R, Stemer D, Winter B, Jungwirth P, Bradforth SE, Schewe HC.
Nemirovich T, et al.
J Am Chem Soc. 2024 Mar 27;146(12):8043-8057. doi: 10.1021/jacs.3c11655. Epub 2024 Feb 16.
J Am Chem Soc. 2024.
PMID: 38363862
Free PMC article.
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Gas phase C6H6 - anion: Electronic stabilization by opening of the benzene ring.
Pysanenko A, Vinklárek IS, Fedor J, Fárník M, Bergmeister S, Kostal V, Nemirovich T, Jungwirth P.
Pysanenko A, et al. Among authors: nemirovich t.
J Chem Phys. 2022 Dec 14;157(22):224306. doi: 10.1063/5.0130998.
J Chem Phys. 2022.
PMID: 36546796
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Bridging Electrochemistry and Photoelectron Spectroscopy in the Context of Birch Reduction: Detachment Energies and Redox Potentials of Electron, Dielectron, and Benzene Radical Anion in Liquid Ammonia.
Nemirovich T, Kostal V, Copko J, Schewe HC, Boháčová S, Martinek T, Slanina T, Jungwirth P.
Nemirovich T, et al.
J Am Chem Soc. 2022 Dec 7;144(48):22093-22100. doi: 10.1021/jacs.2c09478. Epub 2022 Nov 28.
J Am Chem Soc. 2022.
PMID: 36442139
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