Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Marco Medves"'
Autor:
Daniele Toffoli, Marco Medves, Giovanna Fronzoni, Emanuele Coccia, Mauro Stener, Luca Sementa, Alessandro Fortunelli
Publikováno v:
Molecules, Vol 27, Iss 1, p 93 (2021)
We report a computational study at the time-dependent density functional theory (TDDFT) level of the chiro-optical spectra of chiral gold nanowires coupled in dimers. Our goal is to explore whether it is possible to overcome destructive interference
Externí odkaz:
https://doaj.org/article/a636d27a32a240e0912cdcfb3f7acbbc
Publikováno v:
Journal of computational chemistryREFERENCES. 43(28)
A new set of auxiliary basis function suitable to fit the induced electron density is presented. Such set has been optimized in order to furnish accurate absorption spectra using the complex polarizability algorithm of time-dependent density function
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4a362be7ea7af074078c1573c4461bd6
https://pubmed.ncbi.nlm.nih.gov/36069663
https://pubmed.ncbi.nlm.nih.gov/36069663
Autor:
Daniele Toffoli, Marco Medves, Giovanna Fronzoni, Emanuele Coccia, Mauro Stener, Luca Sementa, Alessandro Fortunelli
Publikováno v:
Molecules
Molecules (Basel, Online) 27 (2022): 93-1–93-18. doi:10.3390/molecules27010093
info:cnr-pdr/source/autori:Toffoli D.; Medves M.; Fronzoni G.; Coccia E.; Stener M.; Sementa L.; Fortunelli A./titolo:Plasmonic circular dichroism in chiral gold nanowire dimers/doi:10.3390%2Fmolecules27010093/rivista:Molecules (Basel, Online)/anno:2022/pagina_da:93-1/pagina_a:93-18/intervallo_pagine:93-1–93-18/volume:27
Molecules, Vol 27, Iss 93, p 93 (2022)
Molecules; Volume 27; Issue 1; Pages: 93
Molecules (Basel, Online) 27 (2022): 93-1–93-18. doi:10.3390/molecules27010093
info:cnr-pdr/source/autori:Toffoli D.; Medves M.; Fronzoni G.; Coccia E.; Stener M.; Sementa L.; Fortunelli A./titolo:Plasmonic circular dichroism in chiral gold nanowire dimers/doi:10.3390%2Fmolecules27010093/rivista:Molecules (Basel, Online)/anno:2022/pagina_da:93-1/pagina_a:93-18/intervallo_pagine:93-1–93-18/volume:27
Molecules, Vol 27, Iss 93, p 93 (2022)
Molecules; Volume 27; Issue 1; Pages: 93
We report a computational study at the time-dependent density functional theory (TDDFT) level of the chiro-optical spectra of chiral gold nanowires coupled in dimers. Our goal is to explore whether it is possible to overcome destructive interference
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1be54c946fe8268ebe8d49937b69bfda
https://hdl.handle.net/11368/3024511
https://hdl.handle.net/11368/3024511
A time-dependent density functional theory (TDDFT) computational approach is employed to study the optical coupling between a plasmonic system (a Ag-50 nanorod) and a fluorescent dye (BODIPY). It is found that the BODIPY dye can interact with a plasm
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::560a398fdfafdd957add9c7ee26ece9a
https://pubs.acs.org/doi/10.1021/acs.jpca.2c04168
https://pubs.acs.org/doi/10.1021/acs.jpca.2c04168
Autor:
Marco, Medves, Luca, Sementa, Daniele, Toffoli, Giovanna, Fronzoni, Kumaranchira Ramankutty, Krishnadas, Thomas, Bürgi, Sara, Bonacchi, Tiziano, Dainese, Flavio, Maran, Alessandro, Fortunelli, Mauro, Stener
Publikováno v:
The Journal of chemical physics. 155(8)
We report a computational study via time-dependent density-functional theory (TDDFT) methods of the photo-absorption spectrum of an atomically precise monolayer-protected cluster (MPC), the Ag
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::3adca258450a717cc59ccd15a81cc4f1
https://pubmed.ncbi.nlm.nih.gov/34470368
https://pubmed.ncbi.nlm.nih.gov/34470368
Autor:
Luca Sementa, Amala Dass, Mauro Stener, Alessandro Fortunelli, Marco Medves, Guda Ramakrishna, Allen G. Oliver, Naga Arjun Sakthivel
Publikováno v:
Journal of physical chemistry. C 123 (2019): 29484–29494. doi:10.1021/acs.jpcc.9b09060
info:cnr-pdr/source/autori:Naga Arjun Sakthivel, Mauro Stener, Luca Sementa, Marco Medves, Guda Ramakrishna, Alessandro Fortunelli, Allen G. Oliver, Amala Dass/titolo:Crystal Structure of Au36-xAgx(SPh-tBu)24 Nanoalloy and the Role of Ag Doping in Excited State Coupling/doi:10.1021%2Facs.jpcc.9b09060/rivista:Journal of physical chemistry. C/anno:2019/pagina_da:29484/pagina_a:29494/intervallo_pagine:29484–29494/volume:123
info:cnr-pdr/source/autori:Naga Arjun Sakthivel, Mauro Stener, Luca Sementa, Marco Medves, Guda Ramakrishna, Alessandro Fortunelli, Allen G. Oliver, Amala Dass/titolo:Crystal Structure of Au36-xAgx(SPh-tBu)24 Nanoalloy and the Role of Ag Doping in Excited State Coupling/doi:10.1021%2Facs.jpcc.9b09060/rivista:Journal of physical chemistry. C/anno:2019/pagina_da:29484/pagina_a:29494/intervallo_pagine:29484–29494/volume:123
We report the X-ray crystal structure of Au36-xAgx(SPh-tBu)24 alloy nanomolecules, optical properties, and the substitutional disorder refinement protocol to obtain a reliable structural model. Single crystal X-ray crystallography (SC-XRD) revealed a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9534b509a4064ee2d9d0bb68e9dbdfdb
https://doi.org/10.1021/acs.jpcc.9b09060
https://doi.org/10.1021/acs.jpcc.9b09060