2019_20
Educational guide 
School of Chemical Engineering
A A 
english 
Nanoscience, Materials and Processes: Chemical Technology at the Frontier
 Subjects
  INTRODUCTION TO COMPUTATIONAL CHEMISTRY
IDENTIFYING DATA 2019_20
Subject (*) INTRODUCTION TO COMPUTATIONAL CHEMISTRY Code 20705204
Study programme
Nanoscience, Materials and Processes: Chemical Technology at the Frontier
Cycle 2nd
Descriptors Credits Type Year Period Exam timetables and dates
6 Optional
Modality and teaching language See working groups
Prerequisites
Department Physical and Inorganic Chemistry
Coordinator
BO JANÉ, CARLES
E-mail antonio.rodriguezf@urv.cat
carles.bo@urv.cat
Lecturers
RODRÍGUEZ FORTEA, ANTONIO
BO JANÉ, CARLES
Web http://moodle.urv.cat/docnet/guia_docent/index.php?centre=13&ensenyament=1368&assignatura=13685101&any_academic=2013_14&idioma_assig=eng
General description and 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.
OBSERVACIONS: Aquesta assignatura s'imparteix conjuntament amb el Màster de Síntesi, Catàlisi i Disseny Molecular i les competències que es mostren son d’aquest ensenyament. Els resultats d'aprenentatge són els mateixos als dos màsters, tot i que pot variar la seva codificació, pel fet de dependre de diferents competències.
(*)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.