Proceedings of the XIII Brazilian Symposium of Theoretical Chemistry

摘要

The Brazilian Symposium of Theoretical Chemistry (SBQT) is the major scientific meeting in the area of quantum chemistry and molecular physics held in South America.This symposium happens every two years with an increased number of participants.This 13th version gathered approximately 300 participants from many countries in the world,but mostly South Americans.The number of participants has seen a large increase from its first version in 1981,which had fewer than 50 participants.In this XIII SBQT,a total of 20 plenary lectures were delivered from participants of Brazil,the United States,Portugal,Austria,Argentina,Chile,and Canada.In addition,a total of 330 posters were presented in this meeting,by both senior scientists as well as by students.This is an excellent opportunity for an exchange of information with a friendly atmosphere for discussion of the recent scientific achievements.It also provides a very good environment for graduate students to enter into discussion with more experienced colleagues.The scientific contributions presented treated different aspects of theoretical chemistry,such as molecular modeling,classical and quantum Monte Carlo,molecular dynamics simulations,molecular spectros-copy,catalysis,solvent and environmental effects,biological systems and biochemical processes,chemical reactions,relativistic effects,and high-performance computing.