Zobrazeno 1 - 10
of 18
pro vyhledávání: '"E. Yu. Larionova"'
Autor:
E. Yu. Shmidt, E. Yu. Larionova, Vladimir B. Kobychev, Nadezhda M. Vitkovskaya, Boris A. Trofimov
Publikováno v:
Russian Chemical Bulletin. 65:394-400
The mechanism of formation of 1,5-diketone, a key intermediate in the stereoselective assembly of 2,3,4-trimethyl-7-methylidene-1,5-di(thiophen-2-yl)-6,8-dioxabicyclo[3.2.1]octane, and the conformational structures of the reagents and products were s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::975d093a72584a1f1951202795a4d42a
https://doi.org/10.1007/s11172-016-1311-5
https://doi.org/10.1007/s11172-016-1311-5
Publikováno v:
Russian Chemical Bulletin. 62:2306-2310
The geometric structures of the conformers of 2,3,4-trimethyl-7-methylidene-1,5-di-(thiophen-2-yl)-6,8-dioxabicyclo[3.2.1]octane were studied by the MP2/6-311++G**// B3LYP/6-31G* method. The average deviations of the calculated bond lengths from thos
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5e1c1f338d00309a9cad92bf1ab60a82
https://doi.org/10.1007/s11172-013-0334-4
https://doi.org/10.1007/s11172-013-0334-4
Autor:
Nadezhda M. Vitkovskaya, Vladimir B. Kobychev, Boris A. Trofimov, E. Yu. Larionova, A. D. Skitnevskaya
Publikováno v:
Russian Chemical Bulletin. 62:26-32
Cluster-continuum models (KOH·nDMSO, n = 1, 5) were used to model the superbasic system “alkali metal hydroxide-dimethyl sulfoxide” within the framework of MP2/6-311++G**/ and B3LYP/6-31G* methods. The KOH molecule surrounded by five DMSO molecu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::825244c0318249a6f28c8462bcf06436
https://doi.org/10.1007/s11172-013-0004-6
https://doi.org/10.1007/s11172-013-0004-6
Autor:
E. Yu. Larionova, N. V. Kaempf, Boris A. Trofimov, Nadezhda M. Vitkovskaya, Vladimir B. Kobychev
Publikováno v:
Journal of Structural Chemistry. 52:652-658
A comparative ab initio quantum chemical study of methanol interaction with potassium and rubidium hydroxides surrounded by DMSO molecules is performed. The reaction profiles of the formation of a nucleophilic particle in the direct interaction of me
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c70306928930421cdbbf46d47285dc12
https://doi.org/10.1134/s0022476611040020
https://doi.org/10.1134/s0022476611040020
Autor:
Boris A. Trofimov, E. Yu. Larionova, A. D. Skitnevskaya, Nadezhda M. Vitkovskaya, Vladimir B. Orel, N. V. Kaempf, Vladimir B. Kobychev
Publikováno v:
Journal of Structural Chemistry. 52:659-663
An ab initio quantum chemical study of the reaction profiles of the nucleophile particle formation in the interaction of methanol, methanthiol, and acetoxime with an undissociated molecule of alkali metal hydroxide is performed for the gas phase and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fd0f879f663eb6704b93e767287bfbaf
https://doi.org/10.1134/s0022476611040032
https://doi.org/10.1134/s0022476611040032
Autor:
Nadezhda M. Vitkovskaya, E. Yu. Larionova, Vladimir B. Kobychev, A. D. Skitnevskaya, Boris A. Trofimov
Publikováno v:
Doklady Chemistry. 456:91-93
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::70d5df17b0cc946a35205eb72d4ab2fd
https://doi.org/10.1134/s0012500814060068
https://doi.org/10.1134/s0012500814060068
Autor:
Nadezhda M. Vitkovskaya, I. L. Zaitseva, E. Yu. Larionova, Boris A. Trofimov, Vladimir B. Kobychev
Publikováno v:
Journal of Structural Chemistry. 50:18-26
Within the ab initio approach and with the use of density functional theory the formation of solvation shells of nondissociated alkali metals hydroxides of the corresponding cations and the hydroxide ion in dimethyl sulfoxide (DMSO) is studied. Compl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3a13e2d7912faadc333de52bdb5ce3f7
https://doi.org/10.1007/s10947-009-0003-5
https://doi.org/10.1007/s10947-009-0003-5
Autor:
E. Yu. Larionova, Nadezhda M. Vitkovskaya, Boris A. Trofimov, A. D. Skitnevskaya, Vladimir B. Kobychev, N. V. Kaempf
Publikováno v:
Journal of Structural Chemistry. 50:27-33
The reaction mechanism of the formation of alkali metal ethynides C2H2 + MOH → C2HM + H2O (M = Li, Na, K) is studied for the gas phase (MP2/6-311++G**//RHF/6-31+G*) and also with regard to the solvent effect of dimethyl sulfoxide (DMSO) included wi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bc08b1ba49a2fa96a2331cc4b782a500
https://doi.org/10.1007/s10947-009-0004-4
https://doi.org/10.1007/s10947-009-0004-4
Publikováno v:
Journal of Structural Chemistry. 49:595-599
The profile of the reaction CH3OH + MOH → CH3OM + H2O in the presence of an alkali (MOH, M = Li, Na, K) was investigated by the ab initio quantum-chemical method for the gas phase (with allowance for the solvent) within the continuum model. The pro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e332680e3a454e086c5c935396a8b47b
https://doi.org/10.1007/s10947-008-0082-8
https://doi.org/10.1007/s10947-008-0082-8
Autor:
Vladimir B. Kobychev, E. Yu. Larionova, N. V. Shevchenko, Boris A. Trofimov, Nadezhda M. Vitkovskaya
Publikováno v:
Journal of Structural Chemistry. 48:S94-S99
The reaction profile of noncatalytic vinylation of methanol with acetylene was studied by ab initio quantum-chemical calculations for the gas phase and by calculations using a combined model that took into account the solvent (DMSO) effect. The react
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aa28ea784153fda00d1c48ffe2e79323
https://doi.org/10.1007/s10947-007-0152-3
https://doi.org/10.1007/s10947-007-0152-3