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pro vyhledávání: '"Giulia Magi, Meconi"'
Proteins are the workhorse of life. They are the building infrastructure of living systems; they are the most efficient molecular machines known, and their enzymatic activity is still unmatched in versatility by any artificial system. Perhaps protein
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::973d69158a6050b6e25805486c5eeacb
https://zenodo.org/record/6778287
https://zenodo.org/record/6778287
Autor:
Ronen Zangi, Giulia Magi Meconi
Publikováno v:
Physical Chemistry Chemical Physics. 22:21031-21041
Utilization of graphene-based materials for selective carbon dioxide capture has been demonstrated recently as a promising technological approach. In this study we report results from density functional theory calculations and molecular dynamics simu
Publikováno v:
Journal of CO2 Utilization. 32:92-105
Three-dimensional graphene-polymer porous materials have been proposed recently as potential adsorbents for carbon dioxide capture. We report results from molecular dynamics simulations on the adsorption of CO2 gas by composite systems formed by six
Autor:
Giulia Magi, Meconi, Ronen, Zangi
Publikováno v:
Physical chemistry chemical physics : PCCP. 22(37)
Utilization of graphene-based materials for selective carbon dioxide capture has been demonstrated recently as a promising technological approach. In this study we report results from density functional theory calculations and molecular dynamics simu
Autor:
Giulia Magi Meconi, Paola Belanzoni, Jesús A. Luque-Urrutia, Luigi Cavallo, Miquel Solà, Sai V. C. Vummaleti, Albert Poater, Heiko Jacobsen, Steven P. Nolan
Publikováno v:
Recercat. Dipósit de la Recerca de Catalunya
instname
© Organometallics, 2017, vol. 36, núm. 11, p. 2088-2095
Articles publicats (D-Q)
DUGiDocs – Universitat de Girona
instname
© Organometallics, 2017, vol. 36, núm. 11, p. 2088-2095
Articles publicats (D-Q)
DUGiDocs – Universitat de Girona
El títol de la versió original de l'article és: "The reaction mechanism of the Suzuki-Miyaura cross-coupling reac-tion. The role of the precatalyst activation" Density functional theory calculations have been used to investigate the activation mec
Publikováno v:
Physical chemistry chemical physics : PCCP. 19(47)
Although surfactants are known to play a vital role in polymerization reactions carried out in dispersed media, many aspects of their use are poorly understood, perhaps none more so than the vastly different action of ionic and nonionic surfactants i
Publikováno v:
Soft matter. 12(48)
We report combined experimental and computational studies aiming to elucidate the adsorption properties of ionic and nonionic surfactants on hydrophobic polymer surface such as poly(styrene). To represent these two types of surfactants, we choose sod