Molecular Modeling Resources
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The
Hydrogen Atomic Orbitals
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A visual guide to the wavefunctions and probability
distribution of the Hydrogen Atomic Orbitals using Jmol.
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The
Chemical Bond: an Orbital Perspective
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A visual guide to the formation of Sigma (σ) and Pi
(π) bonds using Jmol
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Valence
Bond Theory and Hybridization
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A visual guide to Valence Bond Theory and Hybridization
using Jmol
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Molecular Orbital Theory
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A visual guide to MO theory using diatomics and π
systems (using Jmol)
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Molecular
Modeling
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A brief introduction to Molecular Modeling including
Molecular Mechanics, Semi-empirical and ab inito methods.
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Molecular
Playground
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A JSmol based tool for creating molecular structures
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JSmol Editor
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Another JSmol based tool for creating molecular structures
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NGL
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NGL a tool for visualizing crystal structures
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JSmol validation
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JSmol Protein validaion page
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Hack-a-Mol
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Hack-a-Mol a tool for cheminformatics
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OnLine Cheminformatics Course
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Cheminformatics at University of Arkansas Little Rock 2015
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OnLine Cheminformatics Course
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Cheminformatics at University of Arkansas Little Rock 2017
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OnLine Cheminformatics Course
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Cheminformatics OLCC 2019
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Spartan
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A brief introduction to using Spartan for Molecular
Modeling |
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GaussView/Gaussian
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A brief introduction to using GaussView/Gaussian for
Molecular Modeling
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WebMO
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A brief introduction to using WebMO for
Molecular Modeling
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Quantum
Mechanics
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Links to useful Quantum Mechanics sites on the web
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Molecular
Modeling
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Links to useful Molecular Modeling sites on the web
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