| First cycle degree courses | Second cycle degree courses | Single cycle degree courses |
| School of Science | ||
| CHEMISTRY | ||
Course unit
COMPUTATIONAL CHEMISTRY
SC02120583, A.A. 2018/19
Information concerning the students who enrolled in A.Y. 2018/19
COMPUTATIONAL CHEMISTRY
SC02120583, A.A. 2018/19
Information concerning the students who enrolled in A.Y. 2018/19
Information on the course unit
| Degree course |
First cycle degree in CHEMISTRY SC1156, Degree course structure A.Y. 2014/15, A.Y. 2018/19 |
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|---|---|---|
| Number of ECTS credits allocated | 6.0 | |
| Type of assessment | Mark | |
| Course unit English denomination | COMPUTATIONAL CHEMISTRY | |
| Website of the academic structure | http://www.chimica.unipd.it/corsi/laurea-chimica | |
| Department of reference | Department of Chemical Sciences | |
| Mandatory attendance | No | |
| Language of instruction | Italian | |
| Branch | PADOVA | |
| Single Course unit | The Course unit can be attended under the option Single Course unit attendance | |
| Optional Course unit | The Course unit can be chosen as Optional Course unit |
Lecturers
| Teacher in charge | LAURA ORIAN | CHIM/02 | |
|---|---|---|---|
| Other lecturers | DANIEL FORRER | ||
| ANTONINO POLIMENO | CHIM/02 |
ECTS: details
| Type | Scientific-Disciplinary Sector | Credits allocated | |
|---|---|---|---|
| Core courses | CHIM/02 | Physical Chemistry | 2.0 |
| Core courses | CHIM/03 | General and Inorganic Chemistry | 2.0 |
| Core courses | CHIM/06 | Organic Chemistry | 2.0 |
Course unit organization
| Period | Second semester |
|---|---|
| Year | 1st Year |
| Teaching method | frontal |
| Type of hours | Credits | Teaching hours |
Hours of Individual study |
Shifts |
|---|---|---|---|---|
| Lecture | 6.0 | 48 | 102.0 | No turn |
| Start of activities | 25/02/2019 |
|---|---|
| End of activities | 14/06/2019 |
| Show course schedule | 2019/20 Reg.2014 course timetable |
Examination board
| Board | From | To | Members of the board |
|---|---|---|---|
| 5 2019/20 | 28/04/2015 | 30/11/2020 |
ORIAN
LAURA
(Presidente)
FORRER DANIEL (Membro Effettivo) POLIMENO ANTONINO (Membro Effettivo) |
| Prerequisites: | Basic knowledge of mathematics, physics and chemistry (as provided by previous courses) |
| Target skills and knowledge: | The main goal of the course is to illustrate the fundamentals and applications of computational chemistry to predict and interpret structural and dynamic properties of molecules. |
| Examination methods: | Oral exam; the student will also have the opportunity of preparing and presenting a specific topic of interest. |
| Assessment criteria: | The evaluation is based on the level of comprehension of the computational methodologies and of their application to current physico-chemical problems. |
| Course unit contents: | The course offers an overview of the computational tools available to the modern chemist. Minimal theoretical aspects will be presented,
but the student will learn how different methodologies are suitable to solve different problems, such as: - electronic structure calculations - molecular geometry optimization - computation of thermochemical, spectroscopic, structural and dynamic properties - description of the properties of materials through integrated techniques. Fundamentals of quantum chemistry will be revisited, although this will be limited to the comprehension of the main aspects of the different methods. During the course, application of computational chemistry in physical, organic and inorganic chemistry problems will be discussed. To this purpose, some practical examples will be presented to the students in the computing room of the Department of Chemical Sciences. In addition, seminars upon invitation of Italian and foreing Professors, working in the field of computational chemistry, might be included. |
| Planned learning activities and teaching methods: | Lectures and short practical sessions. |
| Additional notes about suggested reading: | Lecture notes and slides. |
| Textbooks (and optional supplementary readings) |
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