Search Results - "Lyssenko, Konstantin A."

Density functional theory is straying from the path toward the exact functional by Medvedev, Michael G., Bushmarinov, Ivan S., Sun, Jianwei, Perdew, John P., Lyssenko, Konstantin A.

“…The theorems at the core of density functional theory (DFT) state that the energy of a many-electron system in its ground state is fully defined by its…”
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Response to Comment on "Density functional theory is straying from the path toward the exact functional" by Medvedev, Michael G, Bushmarinov, Ivan S, Sun, Jianwei, Perdew, John P, Lyssenko, Konstantin A

“…Kepp argues in his Comment, among other concerns, that the atomic densities we have considered are not relevant to molecular bonding. However, this does not…”
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Synthesis of 2-((2-(Benzo[d]oxazol-2-yl)-2H-imidazol-4-yl)amino)-phenols from 2-((5H-1,2,3-Dithiazol-5-ylidene)amino)phenols through Unprecedented Formation of Imidazole Ring from Two Methanimino Groups by Baranovsky, Ilia V., Konstantinova, Lidia S., Tolmachev, Mikhail A., Popov, Vadim V., A. Lyssenko, Konstantin, Rakitin, Oleg A.

“…A new synthetic pathway to four substituted imidazoles from readily available 2-((4-aryl(thienyl)-5H-1,2,3-dithiazol-5-ylidene)amino)phenols has been…”
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Safe Synthesis of 4,7-Dibromo[1,2,5]thiadiazolo[3,4-d]pyridazine and Its SNAr Reactions by Chmovzh, Timofey, Knyazeva, Ekaterina, Lyssenko, Konstantin, Popov, Vadim, Rakitin, Oleg

“…A safe and efficient synthesis of 4,7-dibromo[1,2,5]thiadiazolo[3,4-d]pyridazine from the commercial diaminomaleonitrile is reported. Conditions for selective…”
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From "Loose" to "Dense" Crystalline Phases of Calcium Carbonate through "Repulsive" Interactions: An Experimental Charge-Density Study by Nelyubina, Yulia V., Lyssenko, Konstantin A.

“…Anion–anion interactions in an eggshell: Experimental electron density analysis for two polymorphs of calcium carbonate revealed why the less stable form,…”
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First Trifluoromethylated Phenanthrolinediamides: Synthesis, Structure, Stereodynamics and Complexation with Ln(III) by Ustynyuk, Yuri A, Lemport, Pavel S, Roznyatovsky, Vitaly A, Lyssenko, Konstantin A, Gudovannyy, Alexey O, Matveev, Petr I, Khult, Ennie K, Evsiunina, Mariia V, Petrov, Vladimir G, Gloriozov, Igor P, Pozdeev, Anton S, Petrov, Valentine S, Avagyan, Nane A, Aldoshin, Alexander S, Kalmykov, Stepan N, Nenajdenko, Valentine G

“…The first examples of 1,10-phenanthroline-2,9-diamides bearing CF -groups on the side amide substituents were synthesized. Due to stereoisomerism and amide…”
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Bispidine Platform as a Tool for Studying Amide Configuration Stability by Krut'ko, Dmitry P, Medved'ko, Alexey V, Lyssenko, Konstantin A, Churakov, Andrei V, Dalinger, Alexander I, Kalinin, Mikhail A, Gudovannyy, Alexey O, Ponomarev, Konstantin Y, Suslov, Eugeny V, Vatsadze, Sergey Z

“…In this work, the solution conformations of seventeen 3,7-diacyl bispidines were studied by means of NMR spectroscopy including VT NMR experiments. The acyl…”
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Deciphering Three Beneficial Effects of 2,2′-Bipyridine-N,N′-Dioxide on the Luminescence Sensitization of Lanthanide(III) Hexafluoroacetylacetonate Ternary Complexes by Eliseeva, Svetlana V, Pleshkov, Dmitry N, Lyssenko, Konstantin A, Lepnev, Leonid S, Bünzli, Jean-Claude G, Kuzmina, Natalia P

“…Lanthanide hexafluoroacetylacetonate ternary complexes with 2,2′-bipyridine-N,N′-dioxide, [Ln(hfa)3(bpyO2)], were synthesized for Ln = Eu, Gd, Tb, and Lu and…”
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New Titanocene (IV) Dicarboxylates with Potential Cytotoxicity: Synthesis, Structure, Stability and Electrochemistry by Guk, Dmitry A, Gibadullina, Karina R, Burlutskiy, Roman O, Pavlov, Kirill G, Moiseeva, Anna A, Tafeenko, Viktor A, Lyssenko, Konstantin A, Gandalipov, Erik R, Shtil, Alexander A, Beloglazkina, Elena K

“…The search for new anticancer drugs based on biogenic metals, which have weaker side effects compared to platinum-based drugs, remains an urgent task in…”
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Spin-Crossover Anticooperativity Induced by Weak Intermolecular Interactions by Novikov, Valentin V, Ananyev, Ivan V, Pavlov, Alexander A, Fedin, Matvey V, Lyssenko, Konstantin A, Voloshin, Yan Z

“…As a rule, rational design of cooperative spin-crossover (SCO) molecular switches is largely based on consideration of sizes and structures of individual…”
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Coordination Polymers of Polyphenyl-Substituted Potassium Cyclopentadienides by Komarov, Pavel D, Birin, Kirill P, Vinogradov, Alexander A, Varaksina, Evgenia A, Puntus, Lada N, Lyssenko, Konstantin A, Churakov, Andrei V, Nifant'ev, Ilya E, Minyaev, Mikhail E, Roitershtein, Dmitrii M

“…A series of potassium salts of di- and tri-arylsubstituted cyclopentadienes has been obtained by the metalation of the corresponding cyclopentadienes with…”
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Fused 1,2,3‐Thiaselenazoles Synthesized from 1,2,3‐Dithiazoles through Selective Chalcogen Exchange by Konstantinova, Lidia S., Baranovsky, Ilia V., Pritchina, Elena A., Mikhailov, Maksim S., Bagryanskaya, Irina Yu, Semenov, Nikolay A., Irtegova, Irina G., Salnikov, Georgy E., Lyssenko, Konstantin A., Gritsan, Nina P., Zibarev, Andrey V., Rakitin, Oleg A.

“…A new approach to the synthesis of fused 1,2,3‐thiaselenazoles—rare five‐membered heterocycles that contain two different chalcogens—from the corresponding…”
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Diarylphosphate as a New Route for Design of Highly Luminescent Ln Complexes by Kalugin, Alexey E, Minyaev, Mikhail E, Puntus, Lada N, Taydakov, Ilya V, Varaksina, Evgenia A, Lyssenko, Konstantin A, Nifant'ev, Ilya E, Roitershtein, Dmitrii M

“…Organophosphate-chloride complexes [{(2,6- Pr C H -O) POO} LnCl(CH OH) ]·2CH OH, Ln = Nd ( ), Eu ( ), Gd ( ), and Tb ( ) have been obtained and structurally…”
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Symmetry Influence on the Rotation of Molecules in Crystals by Islamov, Daut R, Shtyrlin, Valery G, Serov, Nikita Yu, Fedyanin, Ivan V, Lyssenko, Konstantin A

“…It was shown that rotational mobility of molecules in crystals is affected by the symmetry of their surroundings. A hypothesis was proposed for the discovered…”
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Crystal and Electronic Structure of Ternary Bismuthides BaTM1.8Bi2 (TM = Au, Ag) with a New Variation of the BaAu2Sb2 Structure Type by Shilov, Andrey I., Rakhmanov, Evgeny O., Lyssenko, Konstantin A., Kuznetsov, Alexey N., Morozov, Igor V., Shevelkov, Andrei V.

“…Recently discovered bismuthides with the BaAu2Sb2 structure type demonstrate interesting properties and electronic structures. Here, we report successful…”
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(1RS,2RS,6RS)-2-(6-Amino-9H-purin-9-yl)-8-azaspiro[5.6]dodec-10-en-1-ol Dihydrochloride by Iusupov, Ildar R., Lyssenko, Konstantin A., Altieri, Andrea, Kurkin, Alexander V.

“…The title compound (1RS,2RS,6RS)-2-(6-Amino-9H-purin-9-yl)-8-azaspiro[5.6]dodec-10-en-1-ol dihydrochloride was synthesized for the first time in two steps, the…”
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Synthesis of 1,2,3,4‐Tetrazine 1,3‐Dioxides Annulated with 1,3 a,4,6 a‐Tetraazapentalene Systems by Konnov, Alexey A., Klenov, Michael S., Churakov, Aleksandr M., Strelenko, Yurii A., Dmitrienko, Artem O., Puntus, Lada N., A. Lyssenko, Konstantin, Tartakovsky, Vladimir A.

“…A synthetic approach to 5,11‐dehydro‐5H,11H‐[1,2,3,4]tetrazino[5′,6′:4,5][1,2,3]triazolo[2,1‐a][1,2,3]benzotriazole 1,3‐dioxide (5) and…”
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Di-µ-(1-(3-(1H-imidazol-1-yl)propyl)-2-methyl-4-oxo-1,4-dihydropyridin-3-olate)-bis[(η5-pentamethylcyclopentadienyl)iridium(III)] Chloride by Shutkov, Ilya A., Melnichuk, Nikolai A., Lyssenko, Konstantin A., Borisova, Nataliya E., Kovaleva, Olga N., Nazarov, Alexey A.

“…A metallacyclic maltol-tethered organometallic Ir(III) half-sandwich complex was synthesized as an analog of the ruthenium anticancer complexes (RAPTA/RAED) to…”
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Self-Phosphorylated Polybenzimidazole: An Environmentally Friendly and Economical Approach for Hydrogen/Air High-Temperature Polymer-Electrolyte Membrane Fuel Cells by Ponomarev, Igor I, Razorenov, Dmitry Y, Skupov, Kirill M, Ponomarev, Ivan I, Volkova, Yulia A, Lyssenko, Konstantin A, Lysova, Anna A, Vtyurina, Elizaveta S, Buzin, Mikhail I, Klemenkova, Zinaida S

“…The development of phosphorylated polybenzimidazoles (PBI) for high-temperature polymer-electrolyte membrane (HT-PEM) fuel cells is a challenge and can lead to…”
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Bis(3,4-diphenyl)(2-methythienyl)cyclopentadienyl Terbium Chloride by Vinogradov, Alexander A., Komarov, Pavel D., Puntus, Lada N., Lyssenko, Konstantin A., Nifant’ev, Ilya E., Varaksina, Evgenia A., Taydakov, Ilya V., Roitershtein, Dmitrii M.

“…A new terbium(III) complex with a (3,4-diphenyl)(2-methylthienyl)cyclopentadienyl ligand was synthesized. Single-crystal X-ray analysis revealed a binuclear…”
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