Zobrazeno 1 - 10
of 32
pro vyhledávání: '"Alex Domingo"'
Autor:
Pollyana Rennó Campos Braga, Carla Adriana dos Santos, Amanda Maria de Jesus Bertani, Thais Vieira, Ariadne Ferreira Amarante, Alex Domingos Reis, Cláudio Tavares Sacchi, Carlos Henrique Camargo, Marcio Garcia Ribeiro, Alexandre Secorun Borges, Monique Ribeiro Tiba-Casas
Publikováno v:
Journal of Global Antimicrobial Resistance, Vol 35, Iss , Pp 198-201 (2023)
Objectives: This study reports the genomic characterization of the multidrug resistant Salmonella Newport strain 195_20 recovered from the diarrheic faeces of a foal in Brazil and co-harbouring the mcr-9, blaCMY-2 and qnrB19 antibiotic resistance gen
Externí odkaz:
https://doaj.org/article/c98f2c7951ac4539ad6ad4c78398bb7e
Publikováno v:
Dipòsit Digital de la UB
Universidad de Barcelona
Universidad de Barcelona
Investigation of the excited state decay dynamics of transition metal systems is a crucial step for the development of photoswitchable molecular based ma- terials with applications in growing fields as energy conversion, data storage or molecular dev
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ed33d530e114772a758ea85071ebc972
https://doi.org/10.1002/chem.201801990
https://doi.org/10.1002/chem.201801990
Autor:
Carolina Galuppo, Andrea Paesano, Naíma Mohammed Orra, Quan Manh Phung, Naheed Bibi, Alex Domingo, Fanny Béron, Aline Alves Oliveira, Eduardo Guimarães Ratier de Arruda, André Luiz Barboza Formiga, Kristine Pierloot
Publikováno v:
Inorganic Chemistry. 57:14603-14616
The iron(II) complexes of two structural isomers of 2-(1 H-imidazol-2-yl)diazine reveal how ligand design can be a successful strategy to control the electronic and magnetic properties of complexes by fine-tuning their ligand field. The two isomers o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ca4d96a05e732bed6de523ac01f5f84f
https://doi.org/10.1021/acs.inorgchem.8b02278
https://doi.org/10.1021/acs.inorgchem.8b02278
Publikováno v:
Journal of Chemical Theory and Computation. 13:537-553
This paper presents an in-depth study of the performance of multiconfigurational second-order perturbation theory (CASPT2, NEVPT2) in describing spin state energetics in first-row transition metal (TM) systems,including bare TM ions, TM ions in a fie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3edb44814dfdabd59105d47644486201
https://doi.org/10.1021/acs.jctc.6b01005
https://doi.org/10.1021/acs.jctc.6b01005
Autor:
Kristine Pierloot, Sergio Augusto Venturinelli Jannuzzi, André Luiz Barboza Formiga, Quan Manh Phung, Alex Domingo
Publikováno v:
Inorganic Chemistry. 55:5168-5179
Important electromeric states in manganese-oxo porphyrins MnO(P)(+) and MnO(PF4)(+) (porphyrinato or meso-tetrafluoroporphyrinato) have been investigated with correlated ab initio methods (CASPT2, RASPT2), focusing on their possible role in multistat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::595327a09d69ce04d874bd2358c6c50c
https://doi.org/10.1021/acs.inorgchem.5b02920
https://doi.org/10.1021/acs.inorgchem.5b02920
Publikováno v:
Dipòsit Digital de la UB
Universidad de Barcelona
Universidad de Barcelona
Investigation of the excited state decay dynamics of transition metal systems is a crucial step for the development of photoswitchable molecular based ma- terials with applications in growing fields as energy conversion, data storage or molecular dev
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a99e725c2d965e792ecb85fabae9b905
http://hdl.handle.net/2445/163042
http://hdl.handle.net/2445/163042
Publikováno v:
Physical chemistry chemical physics : PCCP. 20(4)
Spin-orbit couplings have been calculated in twenty snapshots of a molecular dynamics trajectory of [Fe(bpy)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::fa6b97516531cfa05a619cf1a9bc2b86
https://pubmed.ncbi.nlm.nih.gov/29303522
https://pubmed.ncbi.nlm.nih.gov/29303522
Publikováno v:
Dipòsit Digital de la UB
Universidad de Barcelona
Universidad de Barcelona
Spin-orbit couplings have been calculated in twenty snapshots of a molecular dynamics trajectory of [Fe(bpy)3]2+ to address the importance of geometrical distortions and second-order spin-orbit coupling on the intersystem crossing rate constants in t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f81fa7406cad075257b168ff0838c99e
http://hdl.handle.net/2445/163027
http://hdl.handle.net/2445/163027
Autor:
Cinthia P Lima-Cavalcanti, Taís J Silva-Macedo, Glayciane Costa-Gois, Vanúzia Gonçalves-Menezes, Alane P Oliveira-Monte, Alex Domingos-Silva, Dielen J Menezes-Silva, Paulo V Nunes-Nascimento, Elves Oliveira-Silva, Gherman G Leal-Araújo, Rafael T Souza-Rodrigues, Áurea Wischral, Maria H Tavares-Matos, Mário A Ávila-Queiroz
Publikováno v:
Revista Colombiana de Ciencias Pecuarias, Vol 36, Iss 4, Pp 196-209 (2023)
Background: The production of biofuels has caused an increase in the prices of agricultural commodities. Thus, the ecological footprint, social inclusion and profitability of production systems have encouraged the use of agroindustrial products as an
Externí odkaz:
https://doaj.org/article/79636e5c1e7b486c8cad2f8e76647230
Publikováno v:
Journal of Computational Chemistry
Repositori Institucional de la Universitat Rovira i Virgili
Universitat Rovira i virgili (URV)
Repositori Institucional de la Universitat Rovira i Virgili
Universitat Rovira i virgili (URV)
The key role of the molecular orbitals in describing electron transfer processes is put in evidence for the intervalence charge transfer (IVCT) of a synthetic nonheme binuclear mixed-valence Fe3+/Fe2+ compound. The electronic reorganization induced b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c232b2e4ddeda95612f066ff85e1f2aa
https://doi.org/10.1002/jcc.23871
https://doi.org/10.1002/jcc.23871