CHEM4021

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CHEM 4021 - Computational Chemistry (3 Cr.)

Chemistry (11098) TIOT - College of Science and Engineering

Course description

Theoretical methods for study of molecular structure, bonding, and reactivity. Ab initio/semi-empirical calculations. Theoretical determination of molecular electronic structure/spectra, relation to experimental techniques. Molecular mechanics. Structure determination for large systems. Molecular properties/reactivity. Computational tools. Critical assessment of methods/theoretical work in the literature. Lab.

prereq: [4502 or equiv], instr consent

Minimum credits

3

Maximum credits

3

Is this course repeatable?

No

Grading basis

OPT - Student Option

Lecture

Requirements

001186

Fulfills the writing intensive requirement?

No

Typically offered term(s)

Every Spring