Zobrazeno 1 - 10
of 101
pro vyhledávání: '"Fernando Mendizabal"'
Publikováno v:
Nanomaterials, Vol 10, Iss 6, p 1237 (2020)
Nowadays, the use of sulfur-based ligands to modify gold-based materials has become a common trend. Here, we present a theoretical exploration of the modulation of the chalcogenides-gold interaction strength, using sulfur, selenium, and tellurium as
Externí odkaz:
https://doaj.org/article/0cf3c8da14ea49f4a71d310934986a71
Autor:
Daniel Santibañez, Fernando Mendizabal
Publikováno v:
Molecular Simulation. 48:1122-1132
The present work consists of a study that describes the metallophilic interaction in dimers of hypothetical complexes of Au(I), Pb(II), and Bi(III). Quantum chemistry methods based on MP2, SCS-MP2, CCSD(T), and DFT have been applied, verifying an att
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f03877627b44395e7ce35a81e9b18432
https://doi.org/10.1080/08927022.2022.2068802
https://doi.org/10.1080/08927022.2022.2068802
Publikováno v:
Physical Chemistry Chemical Physics. 24:24457-24468
[M25(MPA)18]− (M = Au, Ag; MPA = SCH2CH2COOH) clusters are modeled and their electronic and optical properties are described.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::21287a2dc7fe1158395bb47a8f16165e
https://doi.org/10.1039/d2cp02937e
https://doi.org/10.1039/d2cp02937e
Publikováno v:
RSC Advances. 12:7516-7528
The [AuCl(CNR)] and [AuCl(CO)] (R = –H, –CH3, –Cy) complexes were modeled and their electronic and optical properties described.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::637b103c0804e26047fa3cec6bb4344f
https://doi.org/10.1039/d1ra07269b
https://doi.org/10.1039/d1ra07269b
Autor:
Miguel A. Laguna-Bercero, S. Rojas, Lorena Barrientos, Néstor Escalona, David Contreras, Elizabeth Vergara, Ricardo Salazar, Fernando Mendizabal, Nicole Espinoza-Villalobos
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
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instname
Biomass is a naturally abundant, sustainable, and clean resource, which has the potential to replace fossil feedstock for sustainable production of high add-value chemicals. However, an efficient conversion process is still difficult to achieve due t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6d5704cfe831434968087a3e336b0d8f
https://doi.org/10.1021/acssuschemeng.1c03528
https://doi.org/10.1021/acssuschemeng.1c03528
Autor:
Renato Pereira Orenha, Nelson H. Morgon, Julia Contreras-García, Renato L. T. Parreira, Maurício J. Piotrowski, Krys E. A. Batista, Letícia Bermudes Peixoto, Carlos Cárdenas, Fernando Mendizabal, Giovanni F. Caramori
Publikováno v:
Physical Chemistry Chemical Physics. 23:22768-22778
Fluoride anions (F−) may have beneficial or harmful effects on the environment depending on their concentration. Here, we shed light on F− recognition by compounds containing boron, tellurium and antimony, which were experimentally demonstrated t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9f52c09b7965a14711449f207cb9b968
https://doi.org/10.1039/d1cp02514g
https://doi.org/10.1039/d1cp02514g
Autor:
Julia Contreras-García, Renato Pereira Orenha, Giovanni F. Caramori, Carlos Cárdenas, Felipe S. S. Schneider, Fernando Mendizabal, Renato L. T. Parreira, Maurício J. Piotrowski, Vanessa Borges da Silva, Marina Briese Gonçalves
Publikováno v:
New Journal of Chemistry. 44:17831-17839
Anion recognition is widely used in several biological fields. Squaramide derived compounds appear as potential structures to recognize anions. Here, the bond mechanisms between the chloride (Cl−), bromide (Br−) and nitrate (NO3−) anions and an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7225190a15813b0dbfa4a4ff747df3f2
https://doi.org/10.1039/d0nj03685d
https://doi.org/10.1039/d0nj03685d
Publikováno v:
RSC Advances. 10:33549-33557
The uses of the sulfur–gold bond in the design of new molecular clusters have gained increasing attention in recent years. Their size and shape are diverse providing a wide variety of optical and electronic properties. Here we present a computation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2b88a28b4da34d1e36c33f477b65e480
https://doi.org/10.1039/d0ra06982e
https://doi.org/10.1039/d0ra06982e
Publikováno v:
RSC advances. 12(12)
The electronic structure and spectroscopic properties of [AuCl(CNR)] and [AuCl(CO)] (R = -H, -CH
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::567322b88ac990adaaabb2c499f0ca3c
https://pubmed.ncbi.nlm.nih.gov/35424682
https://pubmed.ncbi.nlm.nih.gov/35424682
Publikováno v:
Molecular Simulation. 45:1447-1453
We studied the oxidation reactions of thiocyanate and L-cysteine on iron phthalocyanine (FePc) coupled via a bridging ligand of the 4-mercatopyridine (4MP) type to a gold cluster (Au26), aiming to ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ef666701bd88ad0896c5758dcb1677c2
https://doi.org/10.1080/08927022.2019.1654607
https://doi.org/10.1080/08927022.2019.1654607