Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Andrés I. Bertoni"'
Autor:
Federico C. D. López, Andrés I. Bertoni, Juan A. Allegretto, Waldemar A. Marmisollé, Omar Azzaroni, Matías Rafti, Doris Grumelli
Publikováno v:
ChemCatChem. 14
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::420538a2d775d068e6e1224684f51fd9
https://doi.org/10.1002/cctc.202201015
https://doi.org/10.1002/cctc.202201015
Publikováno v:
ACS Applied Nano Materials. 3:1821-1829
We assess the potentiality of several geometries of metallic nanodimers (one of the simplest thermoplasmonic systems) as candidates for active particles (nanoswimmers) propelled and controlled by light (phototaxis). The studied nanodimers are formed
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::279e7fcc619056d2043dffb86d7190f5
https://doi.org/10.1021/acsanm.9b02505
https://doi.org/10.1021/acsanm.9b02505
In this work, we present a novel force-based scheme to perform hybrid quantum mechanics/molecular mechanics (QM/MM) computations. The proposed scheme becomes especially relevant for the simulation of host-guest molecular systems, where the descriptio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1eeecd5ee042736b2827f12b6f9487b4
http://hdl.handle.net/10044/1/93902
http://hdl.handle.net/10044/1/93902
