Zobrazeno 1 - 10
of 167
pro vyhledávání: '"Gregori, Ujaque"'
Autor:
Andrés M. Álvarez-Constantino, Andrea Álvarez-Pérez, Jesús A. Varela, Giuseppe Sciortino, Gregori Ujaque, Carlos Saá
The Ru-catalyzed intramolecular oxidative amidation (lactamization) of aromatic alkynylamines with 4-picoline N-oxide as an external oxidant has been developed. This chemoselective process is very efficient to achieve medium-sized ε- and ζ-lactams
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fbface56070441e49e08a8ac2feca697
https://hdl.handle.net/10347/30334
https://hdl.handle.net/10347/30334
Publikováno v:
Supramolecular Catalysis. :271-285
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dd35adb03a6f98be0f992be258dff88c
https://doi.org/10.1002/9783527832033.ch19
https://doi.org/10.1002/9783527832033.ch19
Publikováno v:
Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona
Universitat Autònoma de Barcelona
In homogeneous catalysis solvent is an inherent part of the catalytic system. As such, it must be considered in the computational modeling. The most common approach to include solvent effects in quantum mechanical calculations is by means of continuu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fad07430a8c5784b15f08c3c0ec23359
https://doi.org/10.1007/s11244-021-01520-2
https://doi.org/10.1007/s11244-021-01520-2
Autor:
Andrés M, Álvarez-Constantino, Andrea, Álvarez-Pérez, Jesús A, Varela, Giuseppe, Sciortino, Gregori, Ujaque, Carlos, Saá
Publikováno v:
The Journal of organic chemistry.
The Ru-catalyzed intramolecular oxidative amidation (lactamization) of aromatic alkynylamines with 4-picoline
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::c5a07f8b103d0ac60d1067e51c0cd415
https://pubmed.ncbi.nlm.nih.gov/36579612
https://pubmed.ncbi.nlm.nih.gov/36579612
Publikováno v:
Journal of Chemical Information and Modeling
The encapsulation of molecular guests into supramolecular hosts is a complex molecular recognition process in which the guest displaces the solvent from the host cavity, while the host deforms to let the guest in. An atomistic description of the asso
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::71a778814ae4e20a05472d6ab2cee2b4
http://europepmc.org/articles/PMC8479806
http://europepmc.org/articles/PMC8479806
Publikováno v:
Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona
Universitat Autònoma de Barcelona
Altres ajuts: acords transformatius de la UAB The Nazarov cyclization is investigated in solution and within K[GaL] supramolecular organometallic cage by means of computational methods. The reaction needs acidic condition in solution but works at neu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5be838a86e4f12e3e865fc381b0b72ae
https://doi.org/10.1002/chem.202201792
https://doi.org/10.1002/chem.202201792
Autor:
Lei Gan, Pol G. Fonquernie, Mark E. Light, Gantulga Norjmaa, Gregori Ujaque, Duane Choquesillo-Lazarte, Julio Fraile, Francesc Teixidor, Clara Viñas, José G. Planas
Publikováno v:
Molecules, Vol 24, Iss 17, p 3204 (2019)
Materials that combine flexibility and open metal sites are crucial for myriad applications. In this article, we report a 2D coordination polymer (CP) assembled from CuII ions and a flexible meta-carborane-based linker [Cu2(L1)2(Solv)2]•xSolv (1-DM
Externí odkaz:
https://doaj.org/article/b89acb41173f41e3a701d8aaa1d0c706
Publikováno v:
The Journal of Organic Chemistry. 86:4007-4017
The Buchwald-Hartwig amination of arylhalides with the Pd-Josiphos complex is a very useful process for the generation of primary amines using ammonia as a reactant. Density-functional theory (DFT) calculations are carried out to examine the reaction
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3ef39afc50bcfadf5f0723a9d4ff9b2d
https://doi.org/10.1021/acs.joc.0c02865
https://doi.org/10.1021/acs.joc.0c02865
Publikováno v:
Chemistry (Weinheim an der Bergstrasse, Germany). 28(60)
The Nazarov cyclization is investigated in solution and within K
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::9780b3c0c90f6fd512958a95b47c9f1a
https://pubmed.ncbi.nlm.nih.gov/35859038
https://pubmed.ncbi.nlm.nih.gov/35859038
Publikováno v:
Chemistry – A European Journal. 26:6988-6992
In the present study the dependence of the reaction rate of carbon-carbon reductive elimination from R3 PAu(MeOH)(CH3 )2 (R=Me, Et) complexes inside [Ga4 L6 ]12- metallocage on the nature of the phosphine ligand is investigated by computational means
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0cacde205d4035e3c95f78a8ce5788c5
https://doi.org/10.1002/chem.201905608
https://doi.org/10.1002/chem.201905608