TY - ADVS AU - Clark,Tim TI - Molecular modelling: electronic structure methods T2 - Introduction to Cheminformatics : data management, manipulation and properties, PY - 2011/// CY - London PB - Henry Stewart Talks KW - Cheminformatics KW - Electronic structure KW - Molecular structure KW - Molecules KW - Models KW - Chemistry KW - Informatics KW - Models, Molecular KW - Molecular Structure N1 - Animated audio-visual presentation with synchronized narration; Title from title frames; Contents: Electronic structure theory -- The Schrodinger equation -- Molecular-orbital theory -- Huckel theory -- Self-consistent field theory -- Neglect of diatomic differential overlap (NDDO) -- Ab initio theory -- Basis sets -- Correlation -- Density -- Functional theory; Access restricted to subscribers UR - https://hstalks.com/bs/2020/ UR - https://hstalks.com/bs/p/582/ ER -