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Module

CHY3210 : Physical and Computational Chemistry (Inactive)

  • Inactive for Year: 2020/21
  • Module Leader(s): Dr Daniel Cole
  • Owning School: Natural and Environmental Sciences
  • Teaching Location: Newcastle City Campus
Semesters
Semester 1 Credit Value: 10
Semester 2 Credit Value: 10
ECTS Credits: 10.0

Aims

To explain the energetics and dynamics of chemical reactions in terms of detailed molecular behaviour; to provide an understanding of chemical nanoscience, and to review selected advanced experimental techniques. To develop and apply skills in molecular modelling.

Outline Of Syllabus

Energetics and Dynamics

Excited states in chemistry
Molecular dynamics in energy conversion
Radiative and non-radiative phenomena
Energy transfer
Photochemical vs. thermal reactions

Molecular Modelling

Introduction to molecular modelling;
Quantum concepts and basis functions;
Theory and applications of ab initio quantum chemistry
Theory and applications of molecular mechanics

Chemical Nanoscience

Introduction to Chemical Nanoscience
Electronic structure of solids – tight binding and nearly-free electrons
Nanoparticles and Quantum dots – properties and synthesis
Applications of nanoparticles
Conductance in solids
Nanowires – properties and synthesis
Electron and probe microscopy

Teaching Methods

Please note that module leaders are reviewing the module teaching and assessment methods for Semester 2 modules, in light of the Covid-19 restrictions. There may also be a few further changes to Semester 1 modules. Final information will be available by the end of August 2020 in for Semester 1 modules and the end of October 2020 for Semester 2 modules.

Teaching Activities
Category Activity Number Length Student Hours Comment
Guided Independent StudyAssessment preparation and completion35:0015:00Writing up of dry lab reports
Guided Independent StudyAssessment preparation and completion11:301:30Module Examination - Semester 2
Guided Independent StudyAssessment preparation and completion180:5015:00Revision for formative examination
Guided Independent StudyAssessment preparation and completion11:001:00Formative examination - Semester 1
Scheduled Learning And Teaching ActivitiesLecture361:0036:00Lectures
Scheduled Learning And Teaching ActivitiesPractical33:009:003x3h Dry labs take place over 3 weeks
Guided Independent StudyIndependent study1113:30113:30Background reading and practice past paper examination questions
Guided Independent StudyIndependent study180:309:00Revision for end of module examination
Total200:00
Teaching Rationale And Relationship

Students acquire knowledge and understanding through lectures, drylabs and seminars (timetabled in lecture slots). They learn to plan and organise their work by way of seminars while the lectures provide the necessary opportunity to practice note-taking.

Assessment Methods

Please note that module leaders are reviewing the module teaching and assessment methods for Semester 2 modules, in light of the Covid-19 restrictions. There may also be a few further changes to Semester 1 modules. Final information will be available by the end of August 2020 in for Semester 1 modules and the end of October 2020 for Semester 2 modules.

The format of resits will be determined by the Board of Examiners

Exams
Description Length Semester When Set Percentage Comment
Written Examination902A75End of module examination
Other Assessment
Description Semester When Set Percentage Comment
Practical/lab report1M25Report on computer labs
Formative Assessments
Description Semester When Set Comment
Written exercise2MPractice exam papers
Assessment Rationale And Relationship

The formative exam will assess the level of knowledge and understanding from topics studied in semester 1. This will allow the module team to review and feedback on any topic which may have been problematic.

The summative written examination will assess the level of knowledge and understanding of all aspects of the module. The examination will present students with questions from a selection of topics learnt throughout semester 1 and 2 module content.

Reading Lists

Timetable