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Computational Chemistry Activities
Computational Chemistry Activities
A collection of computational chemistry activities for your learning space built by the MoleCVUE consortium. Although the activity instructions are tailored for use with WebMO, they are easily adapted for use with any electronic structure package.
Introductory
Introductory
WebMO manual for Gen Chem - 2024.pdfExploring electron configurations of atoms and ions with WebMO and Gaussian 2024-05.pdfC4H4 Molecules.pdfTopics
Topics
water and and the hydrogen chalcogens.pdfBondLengthScan.pdfCharge and energy.pdfconformational_analysis_lab.pdfHOOH dihedral Scan BCCE.pdfGreenhouse_complete.pdfGroup Theory BCCE v2.pdfNMR BCCE.pdfprotonationN_O.pdfSolubility_Activity.pdfThermochemistry HCl_DCl BCCE.pdfVSEPR_2_3_4_EGs.pdfFeedback:
Feedback:
If you use these activities in your learning space reach out and let us know! We love hearing how things went and what could be improved.
Cite these activities as:
Cite these activities as:
Author1; Author2; etc. Title of Activity, Year. MoleCVUE Website. https://sites.google.com/view/molecvue/content (accessed Month Day, Year).
The author(s) and year are provided in the footer of each activity.
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