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2021/22 Undergraduate Module Catalogue

CHEM3282 Topics in Fundamental and Theoretical Chemistry (20cr)

20 creditsClass Size: 60

Module manager: Dr Julia Lehman
Email: j.lehman@leeds.ac.uk

Taught: Semester 2 (Jan to Jun) View Timetable

Year running 2021/22

Pre-requisite qualifications

Level 2 in Chemistry or Level 2 in Joint Honours (Science) with Chemistry or equivalent.

This module is mutually exclusive with

CHEM3281Topics in Fundamental and Theoretical Chemistry (10cr)
CHEM3283Topics in Fundamental Chemistry

Module replaces

(in part, CHEM3131 Chemical Bonding)

This module is not approved as a discovery module

Module summary

Students will be required to study a 5-credit topic on theoretical and computational chemistry, and three other 5-credit topics in fundamental chemistry. The theoretical and computational chemistry topic (assessed via coursework) will enable students to understand and appreciate aspects of computational and theoretical chemistry, and to perform hand-on ab-initio calculations using computational tools. The examined topics will cover a range of fundamental areas in chemistry. Students will be required to answer unseen problems requiring an appropriate level of physico-chemical understanding.

Objectives

The module comprises a compulsory 5-credit topic on theoretical and computational chemistry (assessed via coursework), and three compulsory topics in fundamental chemistry (which will be examined).

On completion of the coursework topic, students will be able to:
- describe the general methods used to solve the many electron Schrodinger equations for a molecule;
- apply ab-initio computational methods to solve electronic structure problems for molecules;

The examined topics will require students to demonstrate higher-level understanding of topics in fundamental chemistry, and solve unseen problems of a level appropriate to level 3.

Learning outcomes
On completion of this module, students should be able to:
1. appreciate the theoretical underpinning of computational methods and basis sets used when solving the many electron Schrödinger equation;
2. apply computational methods to solve electronic structure problems for molecules;
3. demonstrate coherent and detailed higher-level understanding of topics in fundamental chemistry;
4. solve unseen problems of a level appropriate to level 3;
5. deploy accurately standard techniques of analysis and enquiry within the appropriate sub-discipline.


Syllabus

Coursework Topic:
- Theoretical and computational chemistry: ab initio methods, basis set formulation, computational chemistry.

Examined topics:
- Spectroscopy: electronic spectroscopy of atoms and molecules, experimental methods, laser spectroscopy
- Chemistry of the Actinides and Lanthanides: coordination and stereochemistry, physical properties, chemical separation, radioactivity and reactor fuel technology
- Electrochemistry: Fundamentals, electrode kinds, applications, dynamic electrochemistry and the effects of current.

The optional topics may change intermittently and be augmented by alternative options.

Teaching methods

Due to COVID-19, teaching and assessment activities are being kept under review - see module enrolment pages for information

Delivery typeNumberLength hoursStudent hours
On-line Learning21.002.00
Workshop141.0014.00
Computer Class21.002.00
Independent online learning hours100.00
Private study hours82.00
Total Contact hours18.00
Total hours (100hr per 10 credits)200.00

Private study

162 hours – watching screencasts, reading, creating and revising notes, preparation for workshops and examination

20 hours – hands-on computational chemistry working towards coursework assessment

Opportunities for Formative Feedback

Students will be provided with online quizzes/tests to test their understanding, and with problem sets for workshops/examples classes for which worked answers will be provided.

Methods of assessment

Due to COVID-19, teaching and assessment activities are being kept under review - see module enrolment pages for information


Coursework
Assessment typeNotes% of formal assessment
Computer ExerciseComputer exercise25.00
Total percentage (Assessment Coursework)25.00

Normally resits will be assessed by the same methodology as the first attempt, unless otherwise stated


Exams
Exam typeExam duration% of formal assessment
Open Book exam3 hr 00 mins75.00
Total percentage (Assessment Exams)75.00

Normally resits will be assessed by the same methodology as the first attempt, unless otherwise stated

Reading list

There is no reading list for this module

Last updated: 02/07/2021 10:55:13

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