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Student Wiki

Student pages

Laboratories and Workshops

First Year

First Year Chemical Information Lab 2012

• Introduction
• Lectures
• Coursework
• Assignment for the course
• List of software for CIT
• Search facilities for CIT

Introduction to Chemical Programming Workshop 2013

• Workshop script

Second Year

Second Year Modelling Workshop

• Coursework
• Background information and Further optional coursework
• Conquest searches

Second Year Symmetry Workshops

• Symmetry Workshop 1

• Downloads and Links

Molecular Dynamics (Physical Chemistry Laboratory)

• Running MD code in MATLAB

Third Year

Third Year Synthetic Modelling Lab DOI:10042/a3uws

• Late breaking news
• Startup
  • Timetable
  • Using your laptop
• 1-C: Structure modelling, NMR and Chiroptical simulations
• Report writing and submission
• General program instructions:
  • The Avogadro program
  • The ChemBio3D program
  • The Gaussview/Gaussian suite
  • Submitting jobs to the HPC (high-performance-computing) resource
  • Error conditions and other FAQs

Third Year Computational Chemistry Lab

• Information needed for the course
• Introductory lecture notes
• Using your laptop
• Report writing and submission
• Questions and Answers
• Late breaking news
• The course modules
  • Inorganic Module: Bonding and molecular orbitals in main group compounds
  • Physical Module: Transition states and reactivity.
• General program instructions:
  • The Gaussview/Gaussian suite
  • Submitting jobs to the chemistry high-performance-computing resource

Online materials for mobile devices

1. How to use eBooks
2. How to disseminate Panopto lecture recordings
3. Blackboard mobile learn for Android
4. Blackboard mobile learn for iOS

Specific lecture courses

1. A library of mechanistic animations in iTunesU (download App first)
2. Conformational analysis in iTunesU (download App first)
3. Pericylic reactions in iTunesU (download App first)