|
Main Bibliography |
G. H. Grant, W. G. Richards "Computational Chemistry" Oxford (1995)
Costa, E., Programação em Python, Fundamentos e Resolução de Problemas, FCA - Editora de Informática, ISBN 978-972-722-940-6, 2ºed (2024)
A. R. Leach "Molecular Modelling Principles and Applications" Addison Wesley Longman (1996)
F. Jensen "Introduction to Computational Chemistry", 3rd ed., John Wiley & Sons (2017)
N. H. Morgon, “Computação em Química Teórica: Informações Técnicas”, Química Nova (2001)
A. M. Ramalho, M. J. M. Curto “ Fontes de Informação em Ciência e Tecnologia: Química e Tecnologia Química”,
LNETI, Lisboa, (1986)
P. W. Atkins, Physical Chemistry, 11ª ed, Oxford, England, (2017)
J. A. M. Simões, e outros, “Guia do laboratório de Química e Bioquímica”, Lidel, 3ª Edição, (2017)
T. W. Graham Solomons, “Química Orgânica”, Vol. 1 e 2, 12ª ed., LTC Livros Técnicos e Científicos Editora S. A.: Rio de Janeiro, (2018)
|
|
Teaching Methodologies and Assessment Criteria |
Theoretical classes with presentation of computational methods, systematization of concepts, and application examples based on case studies of Chemistry .
Theoretical-Practical Classes (TP) with computational work using molecular modeling tools, data processing, calculation and programming applied to solving problems in Chemistry. Carrying out TP work using computational methods with application in Chemistry with preparation of the respective report and oral presentation of the work.
Final Grade (FG) = Two assessment tests or exam (60%) (FTG) and Theoretical-Practical Component (TPG) with four Computational Assignments (40%).
TP work developed in TP classes is evaluated in three components:
1) delivery of the work done during the class by email at the end of the class (40%) ;
2) preparation and delivery of the report (40%);
3) oral presentation (20%).
Th Theoretical-Practical component grade (TPG) is calculated using the average of the four Computational Assignments.
|