2024/25 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 2024/25

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
Workshop	8	1.00	8.00
Practical (computer based)	3	1.00	3.00
Lecture	10	1.00	10.00
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 module

Last updated: 29/04/2024 16:12:08

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