Main Page

This is a communal area for documenting teaching and laboratory courses. To add to any content on these pages, you will have to log in using your Imperial College account. This page has DOI:dh4g

ORCID Identifiers and Research Data Publication

1. Getting an ORCID identifier (two stages)
2. Publishing NMR instrument data (three stages)

Remote Working

1. Remote use of Gaussian
2. Remote access to College computers

Laboratories and Workshops

First Year

First Year Chemical Information Lab 2015

• Introduction
• Lectures
• Coursework
• Assignment for the course
• List of software for CIT
• Search facilities for CIT
• Measurement Science Lab Course

Second Year

Computational Chemistry Lab

• Molecular Reaction Dynamics
• Inorganic Computational Chemistry

Third Year

Computational Chemistry Lab

• The course modules
  • Transition states and reactivity.
  • MgO thermal expansion
  • Ising Model (for CMP)
  • Simulation of a simple liquid
• General program instructions:
  • The Gaussview/Gaussian suite
  • Submitting jobs to the chemistry high-performance-computing resource

Material from previous years

First year

Introduction to Chemical Programming Workshop 2013

• Workshop script

Second year

Modelling Workshop

• Coursework
• Instructions and Further optional coursework
• Conquest searches

Third Year

Synthesis and computational lab

• Synthesis and computational lab

ChemDraw/Chemdoodle Hints

1. Useful hints for using ChemDraw/ChemDoodle

Student wiki

1. Student pages

Tablet Project

1. Tablet Pilot Project

3D

1. 3D-printable models
2. Lecture Theatre Stereo

Online materials for mobile devices

1. How to get eBooks
2. Blackboard mobile learn for Android
3. Blackboard mobile learn for iOS
4. Pericylic reactions in iTunesU (download App first)
5. Conformational analysis in iTunesU (download App first)
6. A library of mechanistic animations in iTunesU (download App first)
7. How to compress and disseminate Panopto lecture recordings

PG

1. Data management

DOI

• template:doi This page has DOI:dh4g