Molecular dynamics -- Computer simulation

Listing items with Subject "Molecular dynamics -- Computer simulation"

11 items found

Showing titles from 0 to 11:

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FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 2012 Ab initio absorption spectrum of NiO combining molecular dynamics with the embedded cluster approach in a discrete reaction field Domingo Toro, Alex ; Rodr铆guez Fortea, Antonio ; Swart, Marcel ; Graaf, Coen de ; Broer, Ria
out url icon Recercat Ab initio absorption spectrum of NiO combining molecular dynamics with the embedded cluster approach in a discrete reaction field Domingo Toro, Alex ; Rodr铆guez Fortea, Antonio ; Swart, Marcel ; Graaf, Coen de ; Broer, Ria
doc icon DUGiDocs 2005 Calculation of Franck-Condon factors including anharmonicity: simulation of the C2 H4+ X虄2B 3u鈫怌2 H4X虄1 Ag band in the photoelectron spectrum of ethylene Luis Luis, Josep Maria ; Torrent Sucarrat, Miquel ; Sol脿 i Puig, Miquel ; Bishop, David M. ; Kirtman, Bernard
out url icon Recercat Calculation of Franck-Condon factors including anharmonicity: simulation of the C2 H4+ X虄2B 3u鈫怌2 H4X虄1 Ag band in the photoelectron spectrum of ethylene Luis Luis, Josep Maria ; Torrent Sucarrat, Miquel ; Sol脿 i Puig, Miquel ; Bishop, David M. ; Kirtman, Bernard
doc icon DUGiDocs 2007 Fronts from complex two-dimensional dispersal kernels: theory and application to Reid鈥檚 paradox Fort, Joaquim
out url icon Recercat Fronts from complex two-dimensional dispersal kernels: theory and application to Reid鈥檚 paradox Fort, Joaquim
out url icon Recercat Fronts from complex two-dimensional dispersal kernels: theory and application to Reid鈥檚 paradox Fort, Joaquim
out url icon Recercat 2018 June 1 Fronts from complex two-dimensional dispersal kernels: theory and application to Reid鈥檚 paradox
out url icon Recercat 2018 June 5 Fronts from complex two-dimensional dispersal kernels: theory and application to Reid鈥檚 paradox Fort, Joaquim
doc icon DUGiDocs 2004 Speed of travelling fronts: Two-dimensional and ballistic dispersal probability distributions M茅ndez L贸pez, Vicen莽 ; Campos, Daniel ; Fort, Joaquim
out url icon Recercat Speed of travelling fronts: Two-dimensional and ballistic dispersal probability distributions M茅ndez L贸pez, Vicen莽 ; Campos, Daniel ; Fort, Joaquim
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