
Molecular modelling, 2012, Lecture 7
Feb 21, 2012 - 00:41:03
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A number of examples of electrocyclic pericyclic reactions.
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Feb 21, 2012 - 00:41:03
Two case studies involving the principles of stereochemical design

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Cyclo-octane, trans-cyclo-octene, and atripisomerism. Caroyophyllene and biphenyls.

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Transition state modelling; reaction coordinates and aromatic electrophilic substitution. Pyridine, conce...

Feb 15, 2012 - 00:47:06
The analysis of wave functions, including molecular orbitals, electrostatic potentials, QTAIM critical po...

Feb 15, 2012 - 00:49:45
Overview of quantum mechanical methods, the Hamiltonian, the best set and extrapolative methods.

Feb 15, 2012 - 00:44:31
The mechanics force field, how it is used to optimize molecular geometries, and a case study.

Feb 15, 2012 - 00:50:01
The techniques of molecular visualisation, and the sources of coordinates.

Feb 9, 2012 - 00:48:43
Conformational analysis of 3,4,5 and 6-membered rings.