Zobrazeno 1 - 10
of 18
pro vyhledávání: '"Vicent S"'
Autor:
Joseph Ketcha Mbadcam, Ibrahim Mbouombouo Ndassa, I. Patouossa, Juan Andrés, Vicent S. Safont, Abel Idrice Adjieufack, Mónica Oliva
Publikováno v:
Repositori Universitat Jaume I
Universitat Jaume I
Universitat Jaume I
In this work we report on the progress that has been made towards gaining an understanding of the molecular mechanism of 1,3-dipolar cycloadditions using the bonding evolution theory (BET). A detailed analysis of the flow of electron density along th
Publikováno v:
Repositori Universitat Jaume I
Universitat Jaume I
Universitat Jaume I
A diastereoselective synthesis of proline containing aminophosphino cubane-type Mo3S4 clusters, (P)-[Mo3S4Cl3((1S,2R)-PPro)3]Cl ((P)-[Mo-(SN,RC)]Cl) and (P)-[Mo3S4Cl3((1S,2S)-PPro)3]Cl ((P)-[Mo-(SN,SC)] Cl), has been achieved in high yields by reacti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::14b6381854eb0f0e8e2731d0c3d4ebd0
Autor:
M. Jesús Fernández-Trujillo, Manuel G. Basallote, Vicent S. Safont, Rosa Llusar, Jose Ángel Pino-Chamorro, Tomás F. Beltrán
Publikováno v:
Inorganic Chemistry 2015, 54, 607−618
Repositori Universitat Jaume I
Universitat Jaume I
Repositori Universitat Jaume I
Universitat Jaume I
The aminophosphine ligand (2-aminoethyl)diphenylphosphine (edpp) has been coordinated to the W3(μ-S)(μ-S)3 cluster unit to afford trimetallic complex [W3S4Br3(edpp)3](+) (1(+)) in a one-step synthesis process with high yields. Related [W3S4X3(edpp)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::93a06b09fa071c4cd0ac4431fbfb79bd
http://hdl.handle.net/10498/20492
http://hdl.handle.net/10498/20492
Publikováno v:
Organometallics. 26:527-537
Careful tuning of the reaction conditions has been proved to be essential for the operation of two disjunctive reaction mechanisms occurring on the ortho-metalated platinum compounds [PtIVBr(Ph)2(C...
Publikováno v:
Organometallics. 23:730-739
The molecular mechanisms of the reaction VO2+ (1A1/3A‘ ‘) + C2H6 (1Ag) to yield V(OH)2+ (1Σ+/3Σ-) + C2H4 (1Ag) and/or VO+ (1Δ / 3Σ) + H2O (1A1) + C2H4 (1Ag) have been investigated with density functional theory (DFT) at the B3LYP/6-311G(2d,p)
Publikováno v:
The Journal of Organic Chemistry. 68:5870-5874
The molecular mechanism for the oxidation of sulfides to sulfoxides and subsequent oxidation to sulfones by diperoxo, MoO(O(2))(2)(OPH(3)) (I), and monoperoxo, MoO(2)(O(2))(OPH(3)) (II), complexes of molybdenum was studied using density functional ca
Publikováno v:
Chemical Physics Letters. 294:87-94
Transition structures and molecular intermediates related to the molecular mechanism of the reaction catalyzed by Rubisco have been theoretically characterized for different steps in the dioxygen fixation at the C2 center, hydrolysis and C2–C3 bond
Publikováno v:
International Journal of Quantum Chemistry. 65:729-738
The molecular mechanisms for the ring openings of cyclopropanone, 2,2-dimethylcyclopropanone, trans-2,3-di-tert-butylcyclopropanone, and spiro(bicyclo[2.2.1]heptane-2.1′-cyclopropan)-2′-one systems were studied at the PM3 semiempirical level in t
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 330:411-416
The transition state structure for the hydride transfer in dihydrofolate reductase, DHFR, enzyme has been calculated with analytical gradients at semiempirical levels: AM1 and PM3. The geometry, electronic structure and transition vector components a
Publikováno v:
Scopus-Elsevier