Made available in DSpace on 2018-08-01T21:59:24Z (GMT). No. of bitstreams: 1 tese_11854_Dissertação Final Daniel Vitor B. Coura - PPGFis.pdf: 1279828 bytes, checksum: 3fc2081f8caf4a6f36fb23b02e664244 (MD5) Previous issue date: 2018-02-08 / Neste trabalho foram feitos cálculos ab initio de alto nível usando determinantes CASSCF para uma função MRCI e uma base ACV5Z-DK, juntamente com um ajuste preliminar de uma função de energia potencial a esses pontos. Até a data da defesa dessa dissertação foi possível realizar um estudo do mínimo global da superfície de energia potencial do HCO, mínimos locais e alguns estados de transição. O objetivo final do trabalho aqui iniciado é a construção de uma superfície de energia potencial global para o estado fundamental da molécula HCO.

Title: Recombination study of ions with electrons at temperatures below 300 K Author: Tomáš Kotrík Department: Department of Surface and Plasma Science Supervisor of the doctoral thesis: Prof. RNDr. Juraj Glosík, DrSc. Department of Surface and Plasma Science Abstract: Presented is the study of recombination of ions with electrons performed at low temperatures using the Flowing afterglow with Langmuir probe experimental technique. Studied was the dissociative recombination of H and D ions at temperatures 77 - 300 K. Apart from a two-body also a three-body recombination channel assisted by neutral He atoms was identified and studied. The obtained temperature dependence of the two-body recombination rate coefficient is in a good agreement with findings of other experimental and theoretical works. The dissociative recombination of HCO and DCO ions with electrons was studied in the temperature range 150 - 300 K. The observed temperature dependence of measured recombination rate coefficient for HCO and DCO ions (~T -1.3 and ~T -1.1 , respectively) is in agreement with the majority of previous experimental works and evokes that indirect mechanism governs the recombination process. The electron- assisted collisional-radiative recombination of Ar ions was for the first time studied at temperatures 50 - 300 K. The...