Publications by authors named "Anton O Simakov"

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Breakdown of the Kasha-Vavilov's rule in low-symmetry porphyrazines: Ultrafast intersystem crossing via high vibronic state.
Pavel A Tarakanov, Alexei V Kozlov, Anton O Simakov, Nikolay S Goryachev, Victor E Pushkarev

Photochem Photobiol· January 2025

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Low-symmetry AB-type 6H-1,4-diazepinoporphyrazines with anti-Kasha effect as promising photosensitizers.
Pavel A Tarakanov, Margarita E Neganova, Denis V Mishchenko, Sergey D Bondarenko, Irina A Sergeeva, Anton O Simakov

Photochem Photobiol· January 2024

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Electronic and steric effects controlling monomer-dimer self-assembly in 6-1,4-diazepinoporphyrazines: an experimental and theoretical study.
Pavel A Tarakanov, Anton O Simakov, Victor E Pushkarev, Dmitry V Konev, Olga A Goncharova

Dalton Trans· February 2023

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Synthesis and characterization of heteroleptic rare earth double-decker complexes involving tetradiazepinoporphyrazine and phthalocyanine macrocycles.
Ekaterina N Tarakanova, Pavel A Tarakanov, Anton O Simakov, Taniyuki Furuyama, Nagao Kobayashi

Dalton Trans· May 2021

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Double-decker bis(tetradiazepinoporphyrazinato) rare earth complexes: crucial role of intramolecular hydrogen bonding.
Ekaterina N Tarakanova, Stanislav A Trashin, Anton O Simakov, Taniyuki Furuyama, Alexander V Dzuban

Dalton Trans· July 2016

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5,7-Bis(2'-arylethenyl)-6H-1,4-diazepine-2,3-dicarbonitriles: synthesis, and experimental and theoretical evaluation of the effects of substituents at 5,6,7-positions on the molecular configuration and spectral properties.
Pavel A Tarakanov, Anton O Simakov, Alexander V Dzuban, Vladimir I Shestov, Ekaterina N Tarakanova

Org Biomol Chem· January 2016

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Novel A₃B-type tert-butyl-substituted tribenzodiazepinoporphyrazine: synthesis, spectral properties and DFT study.
Pavel A Tarakanov, Anton O Simakov, Alexandr Yu Tolbin, Irina O Balashova, Vladimir I Shestov

Spectrochim Acta A Mol Biomol Spectrosc· March 2015

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Insights into the dynamics of evaporation and proton migration in protonated water clusters from large-scale Born-Oppenheimer direct dynamics.
Vladimir V Rybkin, Anton O Simakov, Vebjørn Bakken, Simen Reine, Thomas Kjaergaard

J Comput Chem· March 2013

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