Modeling in Solution


This session considers molecular modeling in solution. Several of the commonly used methods are briefly described and examples of two molecular properties for isolated gaseous molecules and solvated molecules and their respective changes are illustrated. This laboratory considers the changes in the enthalpy of formation, the shift of a vibrational frequency, and the change of the preferred conformation of a molecule resulting from the dissolution process.


To view the lecture, please download the Adobe PDF of Modeling in Solution - Lecture

Lab Exercises

To view the lab, please download the Adobe PDF of:
CAChe Version - Lab
Chem 3D Version - Lab
HyperChem Version -Lab
PC Model Version - Lab
Gaussian Version - Lab
WebMO Version - Lab

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