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A molecular dynamics study of water nucleation using the TIP4P/2005 model
ArticleAbstract: Extensive molecular dynamics simulations were conducted using the TIP4P/2005 water model of AbascalPalabras claves:Autores:Alejandro Pérez Paz, Rubio A.Fuentes:googlescopusOctopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
ArticleAbstract: Over the last few years, extraordinary advances in experimental and theoretical tools have allowed uPalabras claves:Autores:Alfredo A. Correa, Andrade X., Appel H., Borca C.H., Buchholz F., Castro A., Corni S., De Giovannini U., Delgado A., Eich F.G., Flick J., Gil G., Gomez A., Helbig N., Hübener H., Jestädt R., Jornet-Somoza J., Larsen A.H., Le Breton G., Lebedeva I.V., Lüders M., Marques M.A.L., Ohlmann S.T., Oliveira M.J.T., Pipolo S., Rampp M., Rozzi C.A., Rubio A., Sato S.A., Schäfer C., Strubbe D.A., Tancogne-Dejean N., Theophilou I., Welden A.Fuentes:scopusLocal adsorption structure and bonding of porphine on Cu(111) before and after self-metalation
ArticleAbstract: We have experimentally determined the lateral registry and geometric structure of free-base porphinePalabras claves:Autores:Alejandro Pérez Paz, Allegretti F., Barth J.V., Bondino F., Casado Aguilar P., Diller K., Duncan D.A., Klappenberger F., Magnano E., Paszkiewicz M., Píš I., Rubio A.Fuentes:googlescopus