Zobrazeno 1 - 10
of 58
pro vyhledávání: '"Humberto Saint Martin"'
Publikováno v:
The Journal of Physical Chemistry A. 127:1803-1817
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::051efde910b7cf7cbb03c400a645e28d
https://doi.org/10.1021/acs.jpca.2c07476
https://doi.org/10.1021/acs.jpca.2c07476
Akademický článek
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Autor:
Humberto Saint-Martin, C. I. León-Pimentel, Robert A. Flowers, Alejandro Ramírez-Solís, Caroline O. Bartulovich, Nicholas G. Boekell
Publikováno v:
The Journal of Organic Chemistry. 87:1689-1697
Coordination-induced desolvation or ligand displacement by cosolvents and additives is a key feature responsible for the reactivity of Sm(II)-based reagent systems. High-affinity proton donor cosolvents such as water and glycols also demonstrate coor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::96072290db661f78205f2bdc11d04edd
https://doi.org/10.1021/acs.joc.1c01771
https://doi.org/10.1021/acs.joc.1c01771
Publikováno v:
International Journal of Modern Physics B. 36
In this review, we present the recent discovery and confirmation of a new negative molecular ion, the [Formula: see text] anion. The experimental identification of this high-spin exciplex was difficult because it overlaps with the negative oxygen ion
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7bd8520f3fe316893084d5ec5ebf4c3d
https://doi.org/10.1142/s0217979222300043
https://doi.org/10.1142/s0217979222300043
Autor:
C. I. León-Pimentel, Caroline O. Bartulovich, Robert A. Flowers, Alejandro Ramírez-Solís, Nicholas G. Boekell, Humberto Saint-Martin
Publikováno v:
Dalton Transactions. 49:7897-7902
Proton donors are important components of many reactions mediated by samarium diiodide (SmI2). The addition of water to SmI2 creates a reagent system that enables the reduction of challenging substrates through proton-coupled electron-transfer (PCET)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::973c541021f33e3473949cbf98199b36
https://doi.org/10.1039/d0dt01221a
https://doi.org/10.1039/d0dt01221a
Autor:
Caroline O. Bartulovich, Humberto Saint-Martin, C. I. León-Pimentel, William R. Anderson, Alejandro Ramírez-Solís, Robert A. Flowers
Publikováno v:
Inorganic Chemistry. 58:13927-13932
Water addition to Sm(II) has been shown to increase reactivity for both SmI2 and SmBr2. Previous work in our groups has demonstrated that this increase in reactivity can be attributed to coordination induced bond weakening enabling substrate reductio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b25e28af5cb511ae0e5dbc8aeac34870
https://doi.org/10.1021/acs.inorgchem.9b01818
https://doi.org/10.1021/acs.inorgchem.9b01818
Publikováno v:
The Journal of Physical Chemistry B. 123:9155-9166
The Pb2+ presents unique hydration features that make the experimental characterization and its theoretical modeling challenging: classical molecular dynamics (MD) with standard force-fields fails to produce the experimentally determined diffusion co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::995c2c9e9dec7a2d7f1d8a6308ea0665
https://doi.org/10.1021/acs.jpcb.9b04541
https://doi.org/10.1021/acs.jpcb.9b04541
Publikováno v:
The journal of physical chemistry. A. 125(21)
We report the structural and energetic features of the Mg2+ and Ca2+ cations in ammonia microsolvation environments. Born-Oppenhemier molecular dynamics studies are carried out for [Mg(NH3)n]2+ and [Ca(NH3)n]2+ clusters with n = 2, 3, 4, 6, 8, 20, an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::beb334f50f539d929418e16d8087b454
https://pubmed.ncbi.nlm.nih.gov/34029097
https://pubmed.ncbi.nlm.nih.gov/34029097
Publikováno v:
International Journal of Molecular Sciences, Vol 17, Iss 6, p 378 (2016)
Monte Carlo and molecular dynamics simulations were done with three recent water models TIP4P/2005 (Transferable Intermolecular Potential with 4 Points/2005), TIP4P/Ice (Transferable Intermolecular Potential with 4 Points/ Ice) and TIP4Q (Transferabl
Externí odkaz:
https://doaj.org/article/0d2d5d54dd6a40af910d6cf860bac305
Autor:
Alejandro, Ramírez-Solís, Caroline O, Bartulovich, César Iván, León-Pimentel, Humberto, Saint-Martin, Nicholas G, Boekell, Robert A, Flowers
Publikováno v:
Dalton transactions (Cambridge, England : 2003). 49(23)
Proton donors are important components of many reactions mediated by samarium diiodide (SmI
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::9c50a51fa2ff4d14debf34b27582608b
https://pubmed.ncbi.nlm.nih.gov/32483561
https://pubmed.ncbi.nlm.nih.gov/32483561