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Session 1: Introduction to Computational Chemistry

Session 1: Introduction to Computational Chemistry
Module Completed Module In Progress Module Locked
Session 1: Introduction to Computational Chemistry 12393    
  • Session 1: About this unit Page
    Session 1: About this unit Session 1: About this unit
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  • IntroCompChemSC.pptx Attachment
    IntroCompChemSC.pptx IntroCompChemSC.pptx
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  • IntroLabWaterFreq.pdf Attachment
    IntroLabWaterFreq.pdf IntroLabWaterFreq.pdf
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  • Worksheet Water Frequencies.pdf Attachment
    Worksheet Water Frequencies.pdf Worksheet Water Frequencies.pdf
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  • WaterOptFreq.log Attachment
    WaterOptFreq.log WaterOptFreq.log
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Session 2: Applications in Computational Chemistry

Session 2: Applications in Computational Chemistry
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Session 2: Applications in Computational Chemistry 12394    
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    Session 2: About this unit Session 2: About this unit
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  • WorksheetEthyleneVibrationsSC.pdf Attachment
    WorksheetEthyleneVibrationsSC.pdf WorksheetEthyleneVibrationsSC.pdf
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Session 3: Single Point Energies and Geometry Optimization

Session 3: Single Point Energies and Geometry Optimization
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Session 3: Single Point Energies and Geometry Optimization 12395    
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Session 4: Theoretical Methods

Session 4: Theoretical Methods
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Session 4: Theoretical Methods 12397    
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Session 5: Basis Sets

Session 5: Basis Sets
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Session 5: Basis Sets 12398    
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Session 6: Density Functional Theory

Session 6: Density Functional Theory
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Session 6: Density Functional Theory 12399    
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Session 7: Molecular Orbital Theory I

Session 7: Molecular Orbital Theory I
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Session 7: Molecular Orbital Theory I 12400    
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Session 8: Molecular Orbital Theory II

Session 8: Molecular Orbital Theory II
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Session 8: Molecular Orbital Theory II 12401    
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Session 9: Chemical Reactions

Session 9: Chemical Reactions
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Session 9: Chemical Reactions 12402    
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Session 10: Potential Energy Scans

Session 10: Potential Energy Scans
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Session 10: Potential Energy Scans 12403    
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Session 11: QSPR/QSAR

Session 11: QSPR/QSAR
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Session 11: QSPR/QSAR 12404    
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Session 12: Transition States

Session 12: Transition States
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Session 12: Transition States 12405    
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Session 13: Excited States and UV-Vis Spectroscopy

Session 13: Excited States and UV-Vis Spectroscopy
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Session 13: Excited States and UV-Vis Spectroscopy 12406    
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Session 14: Research in Computational Chemistry

Session 14: Research in Computational Chemistry
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Session 14: Research in Computational Chemistry 12407    
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minimum score must view must submit must contribute