Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Ibério de Pinho Ribeiro Moreira"'
Autor:
Iván Ramos-Tomillero, Marta Paradís-Bas, Ibério de Pinho Ribeiro Moreira, Josep María Bofill, Ernesto Nicolás, Fernando Albericio
Publikováno v:
Molecules, Vol 20, Iss 4, Pp 5409-5422 (2015)
Here the aromatic formylation mediated by TiCl4 and dichloromethyl methyl ether previously described by our group has been explored for a wide range of aromatic rings, including phenols, methoxy- and methylbenzenes, as an excellent way to produce aro
Externí odkaz:
https://doaj.org/article/2024791030f44aed90de5ac13d4e1b8c
Publikováno v:
International Journal of Quantum Chemistry. 99:805-823
The ab initio periodic unrestricted Hartree–Fock method and several generalized gradient algorithm (GGA) and hybrid density functional theory (DFT) approaches have been used to investigate the ground-state electronic and magnetic properties of thre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6b35529bbecede3fa5d0012d94673dfa
https://doi.org/10.1002/qua.10862
https://doi.org/10.1002/qua.10862
Publikováno v:
Physical Review B. 67
The electronic structure of A2CuO2X2 (A5Ca, Sr and X5F ,Cl) compounds is investigated by means of the periodic unrestricted Hartree-Fock ~UHF! method using the linear combination of atomic orbitals approach ~LCAO!. The relative stability of different
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fa3e5c0829143539ec949961000cb85f
https://doi.org/10.1103/physrevb.67.134513
https://doi.org/10.1103/physrevb.67.134513
Autor:
Amílcar Labarta, Francesc Illas, Òscar Iglesias, Coen de Graaf, Ibério de Pinho Ribeiro Moreira
Publikováno v:
Physical Review B. 66
The magnetic structure of the edge-sharing cuprate compound ${\mathrm{Li}}_{2}{\mathrm{CuO}}_{2}$ has been investigated with highly correlated ab initio electronic structure calculations. The first- and second-neighbor in-chain magnetic interactions
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b6b008886ccbb1874a6c869b9f3b6865
https://doi.org/10.1103/physrevb.66.014448
https://doi.org/10.1103/physrevb.66.014448