2023/24 Undergraduate Module Catalogue
CHEM3281 Topics in Fundamental and Theoretical Chemistry (10cr)
10 creditsClass Size: 60
Module manager: Dr Sean Collins
Email: s.m.collins@leeds.ac.uk
Taught: Semester 2 (Jan to Jun) View Timetable
Year running 2023/24
Pre-requisite qualifications
Level 2 in Chemistry or Level 2 in Joint Honours (Science) with Chemistry or equivalent.This module is mutually exclusive with
CHEM3282 | Topics in Fundamental and Theoretical Chemistry (20cr) |
CHEM3283 | Topics 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 compulsory 5-credit topic on theoretical and computational chemistry, and one other from a selection of topics in fundamental chemistry.The compulsory 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 optional topics will cover a range of fundamental areas in chemistry and will be assessed by examination. 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 a selection of topics in fundamental chemistry (of which students must choose one to be examined).On completion of the compulsory 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 higher-level understanding of topics in fundamental chemistry, and solve unseen problems of a level appropriate to level 3.
Syllabus
Compulsory Topic:
Theoretical and computational chemistry: ab initio methods, basis set formulation, computational chemistry.
Optional topics (choose 1):
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 alternatives.
Teaching methods
Delivery type | Number | Length hours | Student hours |
On-line Learning | 10 | 1.00 | 10.00 |
Workshop | 8 | 1.00 | 8.00 |
Practical (computer based) | 3 | 1.00 | 3.00 |
Independent online learning hours | 15.00 | ||
Private study hours | 64.00 | ||
Total Contact hours | 21.00 | ||
Total hours (100hr per 10 credits) | 100.00 |
Private study
79h including 15h online study - quizzes, making notes, additional reading and research.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
Coursework
Assessment type | Notes | % of formal assessment |
Computer Exercise | Computer exercise | 50.00 |
Total percentage (Assessment Coursework) | 50.00 |
Normally resits will be assessed by the same methodology as the first attempt, unless otherwise stated
Exams
Exam type | Exam duration | % of formal assessment |
Open Book exam | 1 hr | 50.00 |
Total percentage (Assessment Exams) | 50.00 |
If necessary, this will be replaced by an Online Time-Limited Assessment
Reading list
There is no reading list for this moduleLast updated: 28/04/2023 14:52:17
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