Auflistung nach Schlagwort "Car-Parrinello"

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  • Modelling Vibrational Dissociation of [H2–HCO]+ 
    Kraus, Peter; Alznauer, H. Tobias; Frank, Irmgard (Hoboken, NJ : Wiley-Blackwell Publishing, Inc., 2019)
    The [H2–HCO]+ complex is likely to be one of the most important complexes in interstellar space, as it is a complex of the most abundant interstellar species. In the current work, we investigate the interaction energy and ...