Molecular modelling, 2012, Lecture 4
02/15/12 • 49 min
Overview of quantum mechanical methods, the Hamiltonian, the best set and extrapolative methods.
Overview of quantum mechanical methods, the Hamiltonian, the best set and extrapolative methods.
Previous Episode
Molecular modelling, 2012, Lecture 3
The mechanics force field, how it is used to optimize molecular geometries, and a case study.
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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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