Search Results - "Minaev, Boris"

Theory and Calculation of the Phosphorescence Phenomenon by Baryshnikov, Gleb, Minaev, Boris, Ågren, Hans

“…Phosphorescence is a phenomenon of delayed luminescence that corresponds to the radiative decay of the molecular triplet state. As a general property of…”
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Singlet Oxygen Photophysics in Liquid Solvents: Converging on a Unified Picture by Bregnhøj, Mikkel, Westberg, Michael, Minaev, Boris F, Ogilby, Peter R

“…Singlet oxygen, O2(a1Δg), the lowest excited electronic state of molecular oxygen, is an omnipresent part of life on earth. It is readily formed through a…”
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MRCI Study of the Electronic Structure and Transition Properties of a Tin Dimer by Xiao, Lidan, Xue, Jianlei, Minaev, Boris F., Yan, Bing

“…The ground and excited states of Sn2 are calculated using the multireference configuration interaction method combined with Davidson correction (MRCI+Q). The…”
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Molecular Phosphorescence in Polymer Matrix with Reversible Sensitivity by Wu, Hongwei, Gu, Long, Baryshnikov, Glib V, Wang, Hou, Minaev, Boris F, Ågren, Hans, Zhao, Yanli

“…Ultralong organic phosphorescence strongly depends on the formation of aggregation, while it is difficult to obtain in dilute environments on account of…”
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Novel Zinc Complex with an Ethylenediamine Schiff Base for High-Luminance Blue Fluorescent OLED Applications by Gusev, Alexey N, Kiskin, Mikhail A, Braga, Elena V, Chapran, Marian, Wiosna-Salyga, Gabriela, Baryshnikov, Gleb V, Minaeva, Valentina A, Minaev, Boris F, Ivaniuk, Khrystyna, Stakhira, Pavlo, Ågren, Hans, Linert, Wolfgang

“…To explore the photophysical properties of coordination compounds with bright blue fluorescence, an azomethin–zinc complex was synthesized and characterized by…”
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Very sensitive probes for quantitative and organoleptic detection of oxygen based on conformer-induced room-temperature phosphorescence enhancement of the derivative of triazatruxene and phenothiazine by Skuodis, Eigirdas, Leitonas, Karolis, Panchenko, Alexander, Volyniuk, Lesia, Simokaitienė, Jūratė, Keruckienė, Rasa, Volyniuk, Dmytro, Minaev, Boris F., Gražulevičius, Juozas V.

“…Organic materials which show room-temperature phosphorescence (RTP) are of interest for many applications including chemical qubits which are the core units of…”
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Density Functional Theory Study of Photophysical Properties of Iridium(III) Complexes with Phenylisoquinoline and Phenylpyridine Ligands by Li, Xin, Minaev, Boris, Ågren, Hans, Tian, He

“…Linear and quadratic response time-dependent density functional theory is applied to study the photophysical properties of iridium complexes with…”
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Spectroscopy study of silver nanoparticles fabrication using synthetic humic substances and their antimicrobial activity by Litvin, Valentina A., Minaev, Boris F.

“…[Display omitted] ► The silver nanoparticles are obtained using different types of synthetic humic substances. ► Synthetic humic substances act as a reducing…”
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A Fully Conjugated Planar Heterocyclic [9]Circulene by Pedersen, Stephan K, Eriksen, Kristina, Ågren, Hans, Minaev, Boris F, Karaush-Karmazin, Nataliya N, Hammerich, Ole, Baryshnikov, Glib V, Pittelkow, Michael

“…Fully aromatic [n]­circulenes have only been known to encompass up to eight aromatic rings (n = 8), with no reports of endeavors in the synthesis of…”
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Theoretical Study of Phosphorescence of Iridium Complexes with Fluorine-Substituted Phenylpyridine Ligands by Li, Xin, Minaev, Boris, Ågren, Hans, Tian, He

“…Time‐dependent density functional theory (TD‐DFT) with linear and quadratic response approaches was applied to calculate absorption and luminescence spectra of…”
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Theoretical Study of the Cyclometalated Iridium(III) Complexes Used as Chromophores for Organic Light-Emitting Diodes by Minaev, Boris, Minaeva, Valentina, Ågren, Hans

“…Time-dependent density functional theory with linear and quadratic response technology is used to calculate electronic structure, spectra, and spin−orbit…”
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Computational study of IR, Raman, and NMR spectra of 4-methylmethcathinone drug by Minaeva, Valentina, Minaev, Boris, Panchenko, Alexander, Pasychnik, Vyacheslav

“…Molecular electronic structure, IR, UV, and NMR spectra of the most popular cathinone, known as mephedrone or 4-methylmethcathinone (4-MMC), is studied…”
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Structure and excitation-dependent emission of novel zinc complexes with pyridyltriazoles by Gusev, Alexey, Braga, Elena, Zamnius, Ekaterina, Kiskin, Mikhail, Kryukova, Mariya, Baryshnikova, Alina, Minaev, Boris, Baryshnikov, Gleb, Ågren, Hans, Linert, Wolfgang

“…A series of Zn( ii ) complexes with 5-(4- R -phenyl)-3-(pyridin-2-yl)-1,2,4-triazoles have been synthesized and subsequently characterized by single crystal…”
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Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence by Wu, Hongwei, Baryshnikov, Glib V, Kuklin, Artem, Minaev, Boris F, Wu, Bin, Gu, Long, Zhu, Liangliang, Ågren, Hans, Zhao, Yanli

“…It is a challenge to acquire, realize, and comprehend highly emissive phosphorescent molecules. Herein, we report that, using persulfurated benzene compounds…”
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Strong Topological States and High Charge Carrier Mobility in Tetraoxa[8]circulene Nanosheets by Kuklin, Artem V, Baryshnikov, Gleb V, Minaev, Boris F, Ignatova, Nina, Ågren, Hans

“…Here we report structural and electronic properties of a new family of two-dimensional covalent metal-free organic frameworks based on tetraoxa[8]­circulene…”
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Single-Molecular White Emission of Organic Thianthrene-Based Luminophores Exhibiting Efficient Fluorescence and Room Temperature Phosphorescence Induced by Halogen Atoms by Volyniuk, Lesia, Gudeika, Dalius, Panchenko, Alexander A., Minaev, Boris F, Mahmoudi, Malek, Simokaitiene, Jurate, Bucinskas, Audrius, Volyniuk, Dmytro, Grazulevicius, Juozas Vidas

“…Because of the contradiction of the efficiencies of fluorescence (FL) and room temperature phosphorescence (RTP) under ambient conditions, achievement of the…”
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Near-Infrared Transitions from the Singlet Excited States to the Ground Triplet State of the S2 Molecule by Xiao, Lidan, Yan, Bing, Minaev, Boris F.

“…Intensity of transitions from the b1∑g+  and a1Δg states to the ground state X3∑g−  in the near IR emission spectrum of the S2 molecule has been calculated by…”
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Synthesis and Spectroscopic Characterization of Selected Phenothiazines and Phenazines Rationalized Based on DFT Calculation by Swoboda, Daniel, Nycz, Jacek E, Karaush-Karmazin, Nataliya, Minaev, Boris, Książek, Maria, Kusz, Joachim, Podsiadły, Radosław

“…Two unique structures were isolated from the phosphorylation reaction of 10H-phenothiazine. The 5,5-dimethyl-2-(10H-phenothiazin-10-yl)-1,3,2-dioxaphosphinane…”
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Azatrioxa[8]circulenes: Planar Anti-Aromatic Cyclooctatetraenes by Nielsen, Christian B., Brock-Nannestad, Theis, Hammershøj, Peter, Reenberg, Theis K., Schau-Magnussen, Magnus, Trpcevski, Denis, Hensel, Thomas, Salcedo, Roberto, Baryshnikov, Gleb V., Minaev, Boris F., Pittelkow, Michael

“…We describe herein the first synthesis of a new class of anti‐aromatic planar cyclooctatetraenes: the azatrioxa[8]circulenes. This was achieved by treating a…”
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Recent progress in quantum chemistry of hetero[8]circulenes by Karaush, Nataliya N., Baryshnikov, Gleb V., Minaeva, Valentina A., Ågren, Hans, Minaev, Boris F.

“…This mini-review presents recent advances in theory of electronic and spectral properties of hetero[8]circulenes used as promising fluorescent emitters for…”
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