Zobrazeno 1 - 10
of 107
pro vyhledávání: '"Diels-Alder reactivity"'
Autor:
Daria Van Hende, Laurent Lemmens, Stijn De Baerdemacker, Dimitri Van Neck, Patrick Bultinck, Guillaume Acke
Publikováno v:
JOURNAL OF COMPUTATIONAL CHEMISTRY
Clar’s aromatic π-sextet rule is a widely used qualitative method for assessing the electronic structure of polycyclic benzenoid hydrocarbons. Unfortunately, many of the quantum chemical concordances for this rule have a limited range of applicabi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b94e8d1471824f89632518e52581113e
https://doi.org/10.1002/jcc.26806
https://doi.org/10.1002/jcc.26806
Autor:
Valdemar Lacerda Júnior, Kleber Thiago de Oliveira, Rodrigo Costa e Silva, Mauricio Gomes Constantino, Gil Valdo José da Silva
Publikováno v:
Química Nova, Vol 30, Iss 3, Pp 727-730 (2007)
A computational quantum chemistry experiment is described of Diels-Alder reactions between 2-cycloenones and cyclopentadiene. The effects of FMO-Frontier Molecular Orbitals (HOMO-LUMO) and of the withdrawing nature of substituents at the C=C bond of
Externí odkaz:
https://doaj.org/article/e25dd148fbf44665a4cfc6f710c5f855
Autor:
Dimitra Hatzimimikou, Dimitra Tsitsi, Vassilios G. Tsiaras, Constantinos G. Neochoritis, Evanthia Samatidou, Despina Livadiotou
Publikováno v:
Tetrahedron Letters, 57(49), 5453-5456. PERGAMON-ELSEVIER SCIENCE LTD
A versatile, regioselective and novel approach towards 2-aryl-β-carbolin-3-ones from the reaction of pyranoindolones with phenylisocyanates is described.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::61c4dedd57f396c47227d77c69982ce0
https://doi.org/10.1016/j.tetlet.2016.10.075
https://doi.org/10.1016/j.tetlet.2016.10.075
Publikováno v:
Recueil des Travaux Chimiques des Pays-Bas-Journal of the Royal Netherlands Chemical Society, 112(1), 7-14. ELSEVIER SCIENCE BV
2,3-Dimethylene-2,3-dihydrothiophene (1), the thiophene analog of o-xylylene (o-quinodimethane), was generated in situ from the (trialkylammoniomethyl)-(trimethylsilylmethyl)thiophene iodides 4 or 5 by fluoride-induced 1,4 elimination, and was trappe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d5424be492698a62d9b0c416f5b030e6
https://doi.org/10.1002/recl.19931120103
https://doi.org/10.1002/recl.19931120103
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Publikováno v:
The Journal of Physical Chemistry A, 116(19), 4778-4788. AMER CHEMICAL SOC
Resonance energy is one of the criteria to measure aromaticity. The effect of the use of different orbital models is investigated in the calculated resonance energies of cyclic conjugated hydrocarbons within the framework of the ab initio Valence Bon
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a7033f680d436bfb1263e05086993459
https://pubmed.ncbi.nlm.nih.gov/22559175
https://pubmed.ncbi.nlm.nih.gov/22559175
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Autor:
Lacerda Júnior, Valdemar, Oliveira, Kleber Thiago de, Silva, Rodrigo Costa e, Constantino, Mauricio Gomes, Silva, Gil Valdo José da
Publikováno v:
Química Nova, Volume: 30, Issue: 3, Pages: 727-730, Published: JUN 2007
A computational quantum chemistry experiment is described of Diels-Alder reactions between 2-cycloenones and cyclopentadiene. The effects of FMO-Frontier Molecular Orbitals (HOMO-LUMO) and of the withdrawing nature of substituents at the C=C bond of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______608::21dad285cf075815709fa4278e43761d
http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422007000300038&lng=en&tlng=en
http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422007000300038&lng=en&tlng=en
Autor:
Gil Valdo José da Silva, Rodrigo Costa e Silva, Mauricio Gomes Constantino, Kleber T. de Oliveira, Valdemar Lacerda Júnior
Publikováno v:
Química Nova v.30 n.3 2007
Química Nova
Sociedade Brasileira de Química (SBQ)
instacron:SBQ
Química Nova
Sociedade Brasileira de Química (SBQ)
instacron:SBQ
A computational quantum chemistry experiment is described of Diels-Alder reactions between 2-cycloenones and cyclopentadiene. The effects of FMO-Frontier Molecular Orbitals (HOMO-LUMO) and of the withdrawing nature of substituents at the C=C bond of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d03f6de55d3e71a96038203ab2d31a47
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422007000300038
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422007000300038