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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. A library of mechanistic animations in iTunesU (download App first)
4. Conformational analysis in iTunesU (download App first)
5. Pericylic reactions in iTunesU (download App first)