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pro vyhledávání: '"Maria Poblet"'
The November 2020 US election was arguably the most consequential since the 1860 election of Abraham Lincoln—and grassroots leaders and organizers played crucial roles in the contention for the presidency and control of both houses of Congress. Pow
Publikováno v:
In Journal of Organometallic Chemistry 1999 586(2):125-137
Publikováno v:
Inorganic Chemistry. 42:6136-6141
The aim of this work is to demonstrate that theoretical chemistry can be used as a complementary tool in determining geometric parameters of a number of uranyl complexes in solution, which are not observable by experimental methods. In addition, we p
The first attempts of computational modeling of polyoxometalates (POMs) started about 20 years ago and focused on the structural properties of POMs. The spectacular progress of computational chemistry in the past decade has also allowed the reactivit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::23904ea16be0641d81dab6c20afb7488
https://doi.org/10.1016/b978-0-08-097774-4.00937-2
https://doi.org/10.1016/b978-0-08-097774-4.00937-2
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 371:37-43
The electronic structure of CoRh(μ-CO)(CO) 2 (μ-H 2 PCH 2 PH 2 ) 2 and CoRh(μ-H)(μ-CO)(CO) 2 (μ-H 2 PCH 2 PH 2 ) 2 has been investigated by means of density functional calculations (DFT). The tetrahedral environment around the cobalt atom is the
Autor:
Georgii I. Nikonov, Agusti Lledos, Josep Maria Poblet, Lyudmila G. Kuz’mina, Andrei V. Churakov, Konstantin Yu. Dorogov, Judith A. K. Howard, Arthur J. Schultz, Robert Bau, Nam Nhat Ho, Elise Dumont
Publikováno v:
Organometallics. 23:2845-2847
The first asymmetric bis(silyl) niobocene hydrides Cp2Nb(SiHMe2)H(SiXMe2) (2: X = F (a), Cl (b), Br (c), I (d)), having interligand interactions Nb−H···Si−X, were prepared by selective halogenation of the Si−H bond in Cp2Nb(SiHMe2)2H. X-ray
Publikováno v:
Chemical Physics. 181:63-71
The nature of the interaction between atomic Al above the atop (T 1 ), three-fold eclipsed (T 4 ) and Cl on the atop positions of Si(111) has been investigated at the ab initio Hartree-Fock level of theory using cluster models to simulate the surface
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Publikováno v:
Journal of Physical Chemistry B; Jun2008, Vol. 112 Issue 29, p8591-8599, 9p
Publikováno v:
Inorganic Chemistry; 9/22/2003, Vol. 42 Issue 19, p6136-6141, 6p, 6 Diagrams, 4 Charts