Class Restriction And Registration Summary


CBE 40447 - Section 01: Computational Chemistry (CRN 19657)
Long Title: Modern Methods in Computational Molecular Thermodynamics and Kinetics

Course Description:
This course will introduce the basis of modern approaches to computing the thermodynamics and kinetics of gas-phase, condensed-phase, and surface chemical reactions from first principles. Quantum chemical wavefunction and density functional approaches for treating the electronic structure of molecules, solids, and surfaces will be described. Optimization methods and statistical mechanical techniques for determining structures, spectroscopies, and thermodynamic and kinetic properties will be covered. Software for calculating these properties will be introduced and applied in hands-on exercises and a class project.

Associated Term: Fall Semester 2019
Campus: Main
Credits: 3
Grade Mode: Standard Letter
Course may not be repeated

CHEM 30322 or CHEM 30324 or CHEM 312 or CHEM 30338

Must have the following Classifications:
Senior (04)
Must be enrolled in one of the following Levels:
Employee Non-Degree (EM) ,  Graduate Non-Degree (GD) ,  Graduate (GR) ,  St. Mary's College (SM) ,  Undergraduate Non-Degree (UD) ,  Undergraduate (UG)
Must be enrolled in one of the following Campuses:
Main (M)
Must be enrolled in one of the following Colleges:
College of Engineering (EG) ,  College of Science (SC) ,  St. Mary's College (SM)

Course Attributes:
ZTST - Final exam

Registration Availability (Overflow: Off )
  Maximum Actual Remaining
TOTAL 5 3 2

Crosslist Information
Class Information Maximum Actual Remaining
CBE  40447 01, CRN 19657  (Primary) 5 3 2
CBE  60547 01, CRN 19658   25 7 18
Total 30 10 20