caa a22 4500 463239776 CHVBK 20180405153309.0 cr unu---uuuuu 170326e20070101xx s 000 0 eng 10.1007/s10947-007-0151-4 doi (NATIONALLICENCE)springer-10.1007/s10947-007-0151-4 Molecular fragmentation on collision with protons for freon and propane molecules [Elektronische Daten] [A. Tulub, K. Simon] In ab initio calculations, we determined the most probable routes of decomposition of the [CF3Cl]+, [CF2Cl2]+, [CFCl3]+, [CCl4]+ molecular ions of freons and [C3H8]+ ions of hydrocarbons formed by collision of neutral molecules with protons with energies of the order of 10 keV. The calculated potential surface sections are compared on a qualitative level with the probability of various ion fragments in experiments on fragmentation. The role of the charge transfer dynamics between the proton and the molecule is discussed. Springer Science+Business Media, Inc., 2007 structure of molecular ions nationallicence fragmentation nationallicence freons and hydrocarbons nationallicence potential energy surfaces nationallicence ab initio calculations nationallicence comparative characteristics nationallicence Tulub A. St. Petersburg State University, St. Petersburg aut Simon K. St. Petersburg State University, St. Petersburg aut Journal of Structural Chemistry Springer US 48(2007-01-01), S79-S93 0022-4766 48<S79 2007 48 10947 https://doi.org/10.1007/s10947-007-0151-4 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10947-007-0151-4 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Tulub A. St. Petersburg State University, St. Petersburg aut NATIONALLICENCE 700 1- Simon K. St. Petersburg State University, St. Petersburg aut NATIONALLICENCE 773 0- Journal of Structural Chemistry Springer US 48(2007-01-01), S79-S93 0022-4766 48<S79 2007 48 10947 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer