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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  
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    Session 1: About this unit Session 1: About this unit
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  • Attachment
    IntroCompChemSC.pptx IntroCompChemSC.pptx
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  • Attachment
    IntroLabWaterFreq.pdf IntroLabWaterFreq.pdf
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  • Attachment
    Worksheet Water Frequencies.pdf Worksheet Water Frequencies.pdf
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  • 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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  • 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
Module Completed Module In Progress Module Locked
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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    Score at least   Must score at least   to complete this module item Scored at least   Module item has been completed by scoring at least   View Must view in order to complete this module item Viewed Module item has been viewed and is complete Mark done Must mark this module item done in order to complete Marked done Module item marked as done and is complete Contribute Must contribute to this module item to complete it Contributed Contributed to this module item and is complete Submit Must submit this module item to complete it Submitted Module item submitted and is complete
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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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    Score at least   Must score at least   to complete this module item Scored at least   Module item has been completed by scoring at least   View Must view in order to complete this module item Viewed Module item has been viewed and is complete Mark done Must mark this module item done in order to complete Marked done Module item marked as done and is complete Contribute Must contribute to this module item to complete it Contributed Contributed to this module item and is complete Submit Must submit this module item to complete it Submitted Module item submitted and is complete
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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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    Score at least   Must score at least   to complete this module item Scored at least   Module item has been completed by scoring at least   View Must view in order to complete this module item Viewed Module item has been viewed and is complete Mark done Must mark this module item done in order to complete Marked done Module item marked as done and is complete Contribute Must contribute to this module item to complete it Contributed Contributed to this module item and is complete Submit Must submit this module item to complete it Submitted Module item submitted and is complete
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Session 12: Transition States

Session 12: Transition States
Module Completed Module In Progress Module Locked
Session 12: Transition States 12405  
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    Score at least   Must score at least   to complete this module item Scored at least   Module item has been completed by scoring at least   View Must view in order to complete this module item Viewed Module item has been viewed and is complete Mark done Must mark this module item done in order to complete Marked done Module item marked as done and is complete Contribute Must contribute to this module item to complete it Contributed Contributed to this module item and is complete Submit Must submit this module item to complete it Submitted Module item submitted and is complete
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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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    Score at least   Must score at least   to complete this module item Scored at least   Module item has been completed by scoring at least   View Must view in order to complete this module item Viewed Module item has been viewed and is complete Mark done Must mark this module item done in order to complete Marked done Module item marked as done and is complete Contribute Must contribute to this module item to complete it Contributed Contributed to this module item and is complete Submit Must submit this module item to complete it Submitted Module item submitted and is complete
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Session 14: Research in Computational Chemistry

Session 14: Research in Computational Chemistry
Module Completed Module In Progress Module Locked
Session 14: Research in Computational Chemistry 12407  
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minimum score must view must submit must contribute