112 episodios
Chemistry enhanced podcasts, Imperial College London. Henry Rzepa (Editor) + other members of the chemistry department
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- Ciencia
Audio and video podcasts from undergraduate lecture courses given in the Chemistry Department. The audio materials are annotated as "enhanced" Podcasts with full lecture notes, handouts, and linked to rotatable/and or animated 3D models (of molecules, their vibrations, and their molecular orbitals. Requires Java) and to much original literature.
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Molecular modelling, 2012, Lecture 7
Two case studies involving the principles of stereochemical design
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Conformational analysis, 2012, Lecture 5
Cyclo-octane, trans-cyclo-octene, and atripisomerism. Caroyophyllene and biphenyls.
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Molecular modelling, 2012, Lecture 6
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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Molecular modelling, 2012, Lecture 4
Overview of quantum mechanical methods, the Hamiltonian, the best set and extrapolative methods.
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Molecular modelling, 2012, Lecture 3
The mechanics force field, how it is used to optimize molecular geometries, and a case study.