Zobrazeno 1 - 10
of 105
pro vyhledávání: '"Josep M. Ricart"'
Autor:
Laura Abella, Gerard Novell-Leruth, Josep M. Ricart, Josep M. Poblet, Antonio Rodríguez-Fortea
Publikováno v:
Beilstein Journal of Organic Chemistry, Vol 20, Iss 1, Pp 92-100 (2024)
Fullerene dimerization inside a peapod is analyzed at DFT level by characterizing the stationary points and deriving the energy profile of the initial and reversible process named phase 1. We find that the barriers for the radical cation mechanism ar
Externí odkaz:
https://doaj.org/article/1b63eb631f354f688faef3f5617e28ba
Autor:
Elena Álvarez-Ruiz, Jorge J. Carbó, Manuel Gómez, Cristina Hernández-Prieto, Alberto Hernán-Gómez, Avelino Martín, Miguel Mena, Josep M. Ricart, Antoni Salom-Català, Cristina Santamaría
Publikováno v:
e_Buah Biblioteca Digital Universidad de Alcalá
instname
Inorganic Chemistry
instname
Inorganic Chemistry
The reaction of [TaCpRX4] (CpR = η5-C5Me5, η5-C5H4SiMe3, η5-C5HMe4; X = Cl, Br) with SiH3Ph resulted in the formation of the dinuclear hydride tantalum(IV) compounds [(TaCpRX2)2(μ-H)2], structurally identified by single-crystal X-ray analyses. Th
Publikováno v:
Inorganic Chemistry. 60:807-815
The mechanism responsible for peptide bond hydrolysis by Co(III) and Cu(II) complexes with (oxa)cyclen ligands has been revisited by means of computational tools. We propose that the mechanism starts by substrate coordination and an outer-sphere atta
Autor:
Sergio Castillón, Jose A. Lleberia, Jordi Colavida, Ennio Zangrando, Cyril Godard, Josep M. Ricart, Jorge J. Carbó, Carmen Claver, Antoni Salom-Catala, Ana Maria Collado, Aitor Gual
Publikováno v:
ACS Catalysis. 10:11458-11465
Controlling the selectivity in palladium-catalyzed telomerization of non-symmetric dienes represents a formidable challenge since up to 12 isomers can be obtained, and a general method for selectiv...
Autor:
Avelino Martín, Cristina Santamaría, Jorge J. Carbó, Josep M. Ricart, Miguel Mena, María Gómez-Pantoja, Antoni Salom-Catala
Publikováno v:
e_Buah Biblioteca Digital Universidad de Alcalá
instname
instname
Treatment of the dinuclear compound [{Ti(η5-C5Me5)Cl2}2(μ-O)] with allylmagnesium chloride provides the formation of the allyltitanium(III) derivative [{Ti(η5-C5Me5)(μ-C3H5)}2(μ-O)] (1), structurally identified by single-crystal X-ray analysis.
Autor:
Christopher M. Vogels, Josep M. Ricart, Diego García-López, Stephen A. Westcott, Marc Garcia Civit, Jorge J. Carbó, Elena Fernández
Publikováno v:
Catalysis Science & Technology. 8:3617-3628
The stereoselective anti-addition of selenoboranes to α,β-acetylenic esters and amides was achieved in a transition metal-free context using catalytic amounts of PCy3. The reaction provides anti-3,4-selenoboration with concomitant delivery of α-vi
Autor:
Josep M. Ricart, Vasiliy Yu. Evtushok, Nataliya V. Maksimchuk, Josep Poblet, Jorge J. Carbó, Oxana A. Kholdeeva, Raisa I. Maksimovskaya, Igor Yu. Skobelev
Publikováno v:
ACS Catalysis. 7:8514-8523
The aromatic hydroxylation of pseudocumene (PC) with aqueous hydrogen peroxide catalyzed by the divanadium-substituted γ-Keggin polyoxotungstate TBA4[γ-PW10O38V2(μ-O)(μ-OH)] (TBA-1H, TBA = tetrabutylammonium) has been studied using kinetic modeli
Publikováno v:
Surface Science. 640:141-149
Small metallic nanoparticles supported on transition metal carbides exhibit an unexpected high activity towards a series of chemical reactions. In particular, the Au/TiC system has proven to be an excellent catalyst for SO 2 decomposition, thiophene
Autor:
Francesc Viñes, Francesc Illas, Josep M. Ricart, Jaime Evans, Pedro J. Ramírez, Gian Giacomo Asara, José A. Rodriguez, Ping Liu
Publikováno v:
Dipòsit Digital de la UB
Universidad de Barcelona
Universidad de Barcelona
Au atoms in contact with TiC(001) undergo significant charge polarization. Strong metal–support interactions make Au/TiC(001) an excellent catalyst for the low-temperature water–gas shift (WGS), with turnover frequencies orders of magnitude large
Autor:
Francesc Illas, Gian Giacomo Asara, Alberto Roldan Martinez, José A. Rodriguez, Nora H. de Leeuw, Josep M. Ricart
Publikováno v:
The Journal of Physical Chemistry C. 118:19224-19231
Periodic density functional theory (DFT) calculations have been used to study the stability of five different C-terminations of the Mo2C(001) surface in the most stable orthorhombic (β) phase of this important material. The different terminations al