Dissertação (mestrado)—Universidade de Brasília, Instituto de Física, 2007. / Submitted by Raquel Viana (tempestade_b@hotmail.com) on 2009-11-18T18:14:12Z No. of bitstreams: 1 2007_AdonielWelderSaraivaAntunes.pdf: 931332 bytes, checksum: 771ab6daddb1d0180eaeddcf8e7eb19e (MD5) / Approved for entry into archive by Carolina Campos(carolinacamposmaia@gmail.com) on 2010-01-12T16:33:26Z (GMT) No. of bitstreams: 1 2007_AdonielWelderSaraivaAntunes.pdf: 931332 bytes, checksum: 771ab6daddb1d0180eaeddcf8e7eb19e (MD5) / Made available in DSpace on 2010-01-12T16:33:26Z (GMT). No. of bitstreams: 1 2007_AdonielWelderSaraivaAntunes.pdf: 931332 bytes, checksum: 771ab6daddb1d0180eaeddcf8e7eb19e (MD5) Previous issue date: 2007-04-01 / Recentemente o Genetic Algorithm Optimization Technique (GAOT) foi utilizado para construir uma nova Superfície de Energia Potencial (SEP) para a reação Na + HF ? NaF + H (SEP GAOT). As propriedades dinâmicas dessa nova SEP foram determinadas com o uso do Método Quase-Clássico de Trajetórias. Para verificar a qualidade dessa SEP, foi realizado um estudo comparativo com as propriedades dinâmicas obtidas a partir de duas SEPs consideradas benchmarks da literatura. Dessa comparação e possivel verificar um bom acordo entre as SEPs analisadas. _______________________________________________________________________________________ ABSTRACT / Recently the Genetic Algorithm Optimization Technique (GAOT) was used tobuildanewPotencialEnergySurface(PES)totheNa+HF ? NaF+H reaction (GAOT PES). Dynamical properties of this new PES were determined using the QuasiClassicalTrajectoriesMethod. Theseresultswerecomparedwiththedynamic properties obtained to two others PES considered benchmark of literature. From these comparison it was possible to verify a good agreement among these PES.