Molecular modelling, 2012, Lecture 6
02/20/12 • 50 min
Transition state modelling; reaction coordinates and aromatic electrophilic substitution. Pyridine, concerted vs Wheland intermediates. The Diels Alder reaction in a cavity.
Transition state modelling; reaction coordinates and aromatic electrophilic substitution. Pyridine, concerted vs Wheland intermediates. The Diels Alder reaction in a cavity.
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Molecular modelling, 2012, Lecture 5
The analysis of wave functions, including molecular orbitals, electrostatic potentials, QTAIM critical points, and the NCI method.
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Conformational analysis, 2012, Lecture 5
Cyclo-octane, trans-cyclo-octene, and atripisomerism. Caroyophyllene and biphenyls.
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