2020_21
University
Rovira y Virgili
Educational guide 
Faculty of Chemistry
A A 
english 
Synthesis, Catalysis and Molecular Design (2013)
 Subjects
  INTRODUCTION TO COMPUTATIONAL CHEMISTRY
IDENTIFYING DATA 2020_21
Subject (*) INTRODUCTION TO COMPUTATIONAL CHEMISTRY Code 13685101
Study programme
Synthesis, Catalysis and Molecular Design (2013)
Cycle 2nd
Descriptors Credits Type Year Period Exam timetables and dates
6 Compulsory First AN
Modality and teaching language See working groups
Prerequisites
Department Physical and Inorganic Chemistry
Coordinator
BO JANÉ, CARLES
E-mail antonio.rodriguezf@urv.cat
Lecturers
RODRÍGUEZ FORTEA, ANTONIO
Web
Relevant information Computational Chemistry is nowadays a mature area in modern Chemistry that provides information for understanding chemical phenomena at the molecular level, and that has a high predictive power regarding molecular structure, properties and reactivity. This course deals with the description of the theoretical methods that form the basis of Computational Chemistry, and its application to study molecular systems. It will follow a mixed theoretical/practical approach. From basic examples and case studies related to catalysis, students will learn how to use modern software correctly and in a critical manner. The main aim is that students earn knowledge for understanding current scientific literature, and the expertise needed to attack problems in chemical synthesis and catalysis autonomously.
This subject is taught in two ways. In its own mode, there is no change and you can consult the information in the corresponding sections of this guide. With regard to online teaching, the contents, skills and learning outcomes will be the usual ones and you can consult them in the corresponding section of the guide. The methodologies, planning and evaluation will be as similar as possible to the face-to-face / semi-face-to-face modality and you need to consult the details in the section “Evaluation. "Other comments and second call"
(*)The teaching guide is the document in which the URV publishes the information about all its courses. It is a public document and cannot be modified. Only in exceptional cases can it be revised by the competent agent or duly revised so that it is in line with current legislation.