CHEM 313 - Introduction to Computational Chemistry

Introduction to computational methods in chemistry including quantum mechanics, molecular modeling, and computational tools.

Credits: 3-0-3 Level: 300 Offered: F Type: Elective

Prerequisites: CHEM 311

Introduction to computational methods in chemistry including quantum mechanics, molecular modeling, and computational tools.

Prerequisites: CHEM 311

Course Resources

Textbooks & References

• No materials available yet

Homework & Assignments

• Homework 3
• Quantum Mechanics Assignment
• Summary

Exams & Solutions

• Major Exam 1
• Major Exam 2
• Major Exam 1 (Notebook)
• Final - ConformationSearch

Quizzes & Solutions

• No materials available yet

Lecture Notes

• No materials available yet

Computational Materials

• Machine Learning Lab
• Molecular Structure Lab
• Monte Carlo Lab
• Quantum Mechanics Review
• Simulating Liquid Water
• Spectroscopic Constants
• SCF Procedure

Lab Materials

• Box1D Lab
• Cation-Pi Interaction Lab
• Spectroscopy Lab
• Symmetry Lab
• Water Molecular Orbitals

Projects

• Hartree-Fock Project
• Project Proposal
• SCF Presentation

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