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Testing Electronic Friction Models: Vibrational De-excitation in Scattering of H(2) and D(2) from Cu(111)

[Image: see text] At present, molecular dynamics with electronic friction (MDEF) is the workhorse model to go beyond the Born–Oppenheimer approximation in modeling dynamics of molecules at metal surfaces. Concomitant friction coefficients can be calculated with either the local density friction appr...

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Detalhes bibliográficos
Publicado no:J Phys Chem Lett
Main Authors: Spiering, Paul, Meyer, Jörg
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2018
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5890313/
https://ncbi.nlm.nih.gov/pubmed/29528648
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.7b03182
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