Zobrazeno 1 - 4
of 4
pro vyhledávání: '"N. S. Klyba"'
Publikováno v:
Journal of Structural Chemistry. 45:5-11
Ab initio (MP4/6-31G*//RHF/6-31+G*) calculations have been performed to study the acetylene–allene rearrangement in X–CH2–C≡CH propargyl systems, where X = ethenyl, E-1-butadienyl, 2-pyrrolyl, 2-furanyl, and 2-thienyl. The spatial and electro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::223e32c59060f8a1f0282b0e48b950cd
https://doi.org/10.1023/b:jory.0000041495.14843.bb
https://doi.org/10.1023/b:jory.0000041495.14843.bb
Publikováno v:
Journal of Structural Chemistry. 44:748-756
Conformational isomerism has been studied by ab initio methods (RHF/6-31+G*, MP2/6-31+G*) for CH2=CHCH2X heteroallyl and CH3CH=CHX heteropropenyl systems (X = H, Me, NMe2, OMe, PMe2, SMe, ONCH2). In 3-heteroprop-1-enes, substituents preferably occupy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6f38e009dfbd9f5e998e0bb45c9969db
https://doi.org/10.1023/b:jory.0000029810.09191.93
https://doi.org/10.1023/b:jory.0000029810.09191.93
Publikováno v:
Russian Chemical Bulletin. 51:774-782
Acetylene—allene rearrangement in propargyl systems XCH2CH≡CH (X = H, Me, NMe2, OMe, F, and SMe) was studied using the ab initio approach. The relative stabilities of the starting and final propyne structures and the corresponding allenes as well
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4dfb58bc8f41ab57d30fc5ab6142535c
https://doi.org/10.1023/a:1016068313892
https://doi.org/10.1023/a:1016068313892
Autor:
E. Yu. Larionova, Boris A. Trofimov, Nadezhda M. Vitkovskaya, Vladimir B. Kobychev, N. S. Klyba
Publikováno v:
Russian Chemical Bulletin. 49:408-414
Ab initio study of the pathways of migration of the double bond in the 3-methylthioprop-1-ene (1) and 3-methoxyprop-1-ene (2) molecules with participation of hydroxide ion was carried out by the RHF/6-31+G* and MP2/6-31+G//RHF/6-31+G* methods. Confor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b04506aaeb398f7393478d701898a489
https://doi.org/10.1007/bf02494767
https://doi.org/10.1007/bf02494767