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Journal of Physical Chemistry C(15)
Physical Review B - Condensed Matter and Materials Physics(15)
Journal of Chemical Physics(8)
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Ingeniería y operaciones afines(161)
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"Concentrated capacity" model of ion-exchange funneling in a modified (thin film coated) heterogeneous electrodialysis membrane
ArticleAbstract: Inexpensive highly permselective heterogeneous ion exchange membranes are prohibitively polarizablePalabras claves:Autores:Antontsev S.N., Anvarbek Mukatovich Meǐrmanov, Rubinstein I., Zaltzman B.Fuentes:googlescopus1,3,5-Benzenetribenzoic Acid on Cu(111) and Graphene/Cu(111): A Comparative STM Study
ArticleAbstract: The self-assembly of 1,3,5-benzenetribenzoic acid (BTB) molecules on both Cu(111) and epitaxial grapPalabras claves:Autores:Gottardi S., Juan Carlos Moreno-López, Li J., Solianyk L., Stöhr M.Fuentes:scopusA base-catalyzed cascade route to phenolic 6-cyanopurines via O -alkylformamidoximes
ArticleAbstract: N-[1,2-Dicyano-2-(hydroxyphenylideneamino)vinyl]-O-alkylformamidoximes were prepared from the reactiPalabras claves:amidoximes, Imidazoles, nitrogen heterocycles, phenols, purinesAutores:Filipe Miguel Areias, Proença M.F.Fuentes:googlescopusA convenientmicrowave-enhanced solid-phase synthesis of short chain N-methyl-rich peptides
ArticleAbstract: Structural modification of the peptide backbone via N-methylation is a powerful tool to modulate thePalabras claves:Fmoc-N-methyl amino acids, MICROWAVE, Solid-phase peptide synthesisAutores:Alberício F., Hortensia Rodriguez Cabrera, Suárez Navarro M.Fuentes:scopusA density functional theory study of the chemical surface modification of β-SiC nanopores
Conference ObjectAbstract: The dependence of the electronic band structure and density of states on the chemical surface passivPalabras claves:density functional theory, Porous silicon carbide, surface passivationAutores:Calvino M., Carvajal E., Cruz-Irisson M., Duchén G.I., José Luis Cuevas, Trejo A.Fuentes:googlescopusA density-functional study of the energetics of H<inf>2</inf>O dissociation on bimetallic Pt/Ru nanoclusters
ArticleAbstract: A density-functional study of homolytic and heterolytic O-H bond cleavage in the dehydrogenation reaPalabras claves:Autores:Alejandro Pérez Paz, Cabrera C., Diaz-Morales R., Ishikawa Y., Vilkas M.Fuentes:googlescopusA molecular dynamics study of water nucleation using the TIP4P/2005 model
ArticleAbstract: Extensive molecular dynamics simulations were conducted using the TIP4P/2005 water model of AbascalPalabras claves:Autores:Alejandro Pérez Paz, Rubio A.Fuentes:googlescopusA new exTTF-crown ether platform to associate fullerenes: Cooperative n-π and π-π Effects
ArticleAbstract: A new and readily available exTTF-bis(crown ether), 1, efficiently recognizes C60 as well as C70 byPalabras claves:Autores:Antonio Muñoz, Grimm B., Guldi D.M., Illescas B.M., Martín N., Santos J.Fuentes:scopusA novel tetramer copper(I) complex containing diallylphosphine ligands: Synthesis, characterization and catalytic application in A<sup>3</sup>-coupling (Aldehyde-Amine-Alkyne) reactions
ArticleAbstract: A novel tetrameric copper(I) complex containing tert-butyldiallylphosphine ligands, [CuCl{tBu-P(CH2CPalabras claves:A -coupling reactions 3, Diallylphosphine ligands, Propargylamine, Tetramer cobre(I) complexAutores:David Santiago Coll, Edward E. Ávila, Garcia J.M., Gonzalez T., Ocando-Mavárez E., Rosales J.Fuentes:googlescopusA simple approximate solution for the H3+ ion
ArticleAbstract: Here I derive analytical expressions for the total energy of the (Formula presented.) cation in itsPalabras claves:electronic structure, quantum Monte Carlo, trihydrogen cation, variational methodAutores:Alejandro Pérez PazFuentes:googlescopus