Calculations presented in literature can be downloaded from this page, allowing further calculations or tests on those system to be performed by the interested reader.
Non-profit application of data (e.g. vibrational frequencies, MassKinetics project files) is allowed provided that this web page and the corresponding scientific article is cited.
Modeling the kinetic method in case of salt clusters ( L. Wua, J. W. Denault, R.G. Cooks, L. Drahos and K. Vékey, Alkali Halide Cluster Dissociation Examined by the Kinetic Method: Heterolytic Bond Dissociation Energies, Effective Temperatures and Entropic Effects, J. Am. Soc. Mass Spectrom, 13, 1386-1393 (2002) )
Modeling the effect of collisional cooling using different collision gases (Z. Takáts, L. Drahos, G. Schlosser and K. Vékey, Feasibility of Formation of Hot Ions in Electrospray, Anal. Chem, 2002; 74(24); 6427-6429)
Theoretical calculation of isotope effects, kinetic energy release and effective temperatures for alkylamines (László Drahos, Judit Sztáray and Károly Vékey, International Journal of Mass Spectrometry, 225 233–248 (2003) )
If you wish to include your own example here, please send it to
masskinetics@ttk.mta.hu