Principles of Chemistry II

Submitted by Michelle Personick / University of Virginia on Sun, 06/09/2019 - 08:54
Description

This second semester general chemistry course is a continuation of the Principles of Chemistry sequence that is recommended for science students. The focus of the course is the fundamentals of structure and bonding, with an emphasis on predicting reactivity.

VIPEr Fellows 2019 Workshop Favorites

Submitted by Barbara Reisner / James Madison University on Sat, 06/08/2019 - 16:41

During our first fellows workshop, the first cohort of VIPEr fellows pulled together learning objects that they've used and liked or want to try the next time they teach their inorganic courses.

Teaching Computational Chemistry

Submitted by Joanne Stewart / Hope College on Thu, 05/23/2019 - 14:10

This is a series of in-class exercises used to teach computational chemistry. The exercises have been updated and adapted, with permission, from the Shodor CCCE exercises (http://www.computationalscience.org/ccce). The directions provided in the student handouts use the WebMO interface for drawing structures and visualizing results. WebMO is a free web-based interface to computational chemistry packages (www.webmo.net).

CompChem 06: Electron Densities, Electrostatic Potentials, and Reactivity Indices

Submitted by Joanne Stewart / Hope College on Wed, 05/22/2019 - 09:38
Description

This is the sixth in a series of exercises used to teach computational chemistry. It has been adapted, with permission, from a Shodor CCCE exercise (http://www.computationalscience.org/ccce). It uses the WebMO interface for drawing structures and visualizing results. WebMO is a free web-based interface to computational chemistry packages (www.webmo.net).

CompChem 04: Single Point Energies and Geometry Optimizations

Submitted by Joanne Stewart / Hope College on Tue, 05/21/2019 - 10:19
Description

This is the fourth in a series of exercises used to teach computational chemistry. It has been adapted, with permission, from a Shodor CCCE exercise (http://www.computationalscience.org/ccce). It uses the WebMO interface for drawing structures and visualizing results. WebMO is a free web-based interface to computational chemistry packages (www.webmo.net).

CompChem 03: Choice of Theoretical Method

Submitted by Joanne Stewart / Hope College on Mon, 05/20/2019 - 10:54
Description

This is the third in a series of exercises used to teach computational chemistry. It has been adapted, with permission, from a Shodor CCCE exercise (http://www.computationalscience.org/ccce). It uses the WebMO interface for drawing structures and visualizing results. WebMO is a free web-based interface to computational chemistry packages (www.webmo.net).

In the exercise, students compare the computational results (structures and energies) for different theoretical methods and basis sets.

CompChem 02: Introduction to WebMO

Submitted by Joanne Stewart / Hope College on Mon, 05/20/2019 - 10:11
Description

This is the second in a series of exercises used to teach computational chemistry. It has been adapted, with permission, from a Shodor CCCE exercise (http://www.computationalscience.org/ccce).

It was tested on WebMO Version 18 but should work with minimal modification on earlier versions. WebMO is a free web-based interface to computational chemistry packages (www.webmo.net).

5-ish Slides About Bridging Hydrides and the [Cr(CO)5HCr(CO)5] anion

Submitted by Kyle Grice / DePaul University on Thu, 01/31/2019 - 13:52
Description

This set of slides was made for my Organometallics class based on questions about bridging hydrides and specifically the chromium molecule. I decided to make these slides to answer the questions, and do a DFT calc to show the MO's involved in bonding of the hydride.