Zobrazeno 1 - 10
of 30
pro vyhledávání: '"Luis E. Seijas"'
Autor:
Luis E. Seijas, Cesar H. Zambrano, Vladimir Rodríguez, Jorge Alí-Torres, Luis Rincón, F. Javier Torres
Publikováno v:
Molecules, Vol 27, Iss 21, p 7283 (2022)
The C–X bond cleavage in different methyl halides (CH3X; X = Cl, Br, I) mediated by 5,6-dimethylbenzimidazole-bis(dimethylglyoximate)cobalt(II) (CoIICbx) was theoretically investigated in the present work. An SN2-like mechanism was considered to si
Externí odkaz:
https://doaj.org/article/51dafdc8823b4761a131a2772f9e066e
Autor:
Gerzon E. Delgado, Kristal N. Varela, Rohixa V. Araque, Jesús A. Rodríguez, Asiloé J. Mora, Luis E. Seijas
Publikováno v:
Avances en Química, Vol 9, Iss 1, Pp 3-6 (2014)
The title compound, C7H9N3O3S, also known as rac-N-acetyl-5-propionamide-2-thioxo-imidazolidin-4-one, crystallize in the monoclinic system with space group P21/n (Nº14), Z=4, and unit cell parameters a= 9.338 (7) Å, b= 7.545 (5) Å, c= 13.212 (10)
Externí odkaz:
https://doaj.org/article/3178eaa3e0ff4488b587c9f7f202a62b
Publikováno v:
Avances en Química, Vol 1, Iss 2, Pp 3-7 (2006)
In this work we present the synthesis of (2S)-1-carbamoyl-pyrrolidine-2-carboxylic acid (N-carbamoyl-L-proline) and (S)-tetrahydro-pyrrol-[1,2-c]-imidazole-1,3-dione (hidantoyn-L-proline). These materials were characterized by the FT-IR and NMR uni a
Externí odkaz:
https://doaj.org/article/b1b6122283fa4fb09c8d730fd5b50de0
Publikováno v:
Acta Crystallographica Section E, Vol 65, Iss 2, Pp o245-o245 (2009)
The crystal structure of the title compound, C7H14NO2+·Cl−, was reported previously [Chacko, Srinivasan & Zand (1975). J. Cryst. Mol. Struct. 5, 353–357] from Weissenberg photographic data with R = 0.113. It has now been redetermined, providing
Externí odkaz:
https://doaj.org/article/b71012401e2545acacf7bbb804d1b1a3
Publikováno v:
Journal of Physics Communications, Vol 7, Iss 6, p 061001 (2023)
One of the primary obstacles in the development of orbital–free density functional theory is the lack of an accurate functional for the Kohn–Sham non-interacting kinetic energy, which, in addition to its accuracy, must also render a good approxim
Externí odkaz:
https://doaj.org/article/10db4f0f84254740a1c7d653b4cc56c6
Autor:
Luis E. Seijas, Cesar H. Zambrano, Rafael Almeida, Jorge Alí-Torres, Luis Rincón, Fernando Javier Torres
Publikováno v:
International Journal of Molecular Sciences; Volume 24; Issue 6; Pages: 5271
QTAIM and source function analysis were used to explore the non-covalent bonding in twelve different water clusters (H2O)n obtained by considering n = 2–7 and various geometrical arrangements. A total of seventy-seven O−H⋯O hydrogen bonds (HBs)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7c218ddd355c00b3871be1696ed8bd83
https://doi.org/10.3390/ijms24065271
https://doi.org/10.3390/ijms24065271
Autor:
Luis E. Seijas, Lusbely M. Belandria, Pedro J. Vivas, Marilia Guillén, José L. Burgos, Andrew N. Fitch, Jonathan Wright, Luis Rincón, Gerzon E. Delgado, Asiloé J. Mora
Publikováno v:
Journal of Molecular Structure. 1261:132898
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::11a5f55e455c6da68263e79370edc8c6
https://doi.org/10.1016/j.molstruc.2022.132898
https://doi.org/10.1016/j.molstruc.2022.132898
Autor:
Jose Luis Burgos, Jeans W. Ramírez, Asiloé J. Mora, Luis Rincón, Lusbely M. Belandria, Luis E. Seijas, Marilia Guillén, Gerzon E. Delgado
Publikováno v:
Acta crystallographica Section B, Structural science, crystal engineering and materials. 76(Pt 6)
4-Methylhippuric acid {systematic name: 2-[(4-methylbenzoyl)amino]ethanoic acid}, a p-xylene excreted metabolite with a backbone containing three rotatable bonds (R-bonds), is likely to produce more than one stable molecular structure in the solid st
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c622967eec9a48299a423438af4bf8ea
https://pubmed.ncbi.nlm.nih.gov/33289719
https://pubmed.ncbi.nlm.nih.gov/33289719
Autor:
Jonathan Cisterna, Luis E. Seijas, Asiloé J. Mora, Gerzon E. Delgado, Iván Brito, Gustavo Marroquín, Alejandro Cárdenas, Luis Rincón
Publikováno v:
Journal of Molecular Structure. 1236:130361
The thiohydantoin core is used in the synthesis and development of new drugs. Furthermore, the study of these materials allows us to analyze the role that non-covalent interactions play in their supramolecular structure and how they can influence the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e6237045efb08f8d798dd1b0e36b5dc7
https://doi.org/10.1016/j.molstruc.2021.130361
https://doi.org/10.1016/j.molstruc.2021.130361
Autor:
Luis E. Seijas, Julia Bruno-Colmenárez, Marinel Quintero, Luis Rincón, Rafael Almeida, Reinaldo Atencio
Publikováno v:
Journal of Chemical Crystallography. 47:47-58
The 1:2 ratio salicylic acid/biimidazole co-crystal is studied in this work. I This compound was obtained from a flux with methanol followed by slow evaporation, rendering colorless plates, that crystallize in the monoclinic system, space group P21/n
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::549b70c4d53e9b64fae7ef425ebadef5
https://doi.org/10.1007/s10870-017-0679-x
https://doi.org/10.1007/s10870-017-0679-x