Chimera - A Molecular Modeling Program

Submitted by Walter Flomer / St. Andrew's University on Wed, 06/26/2013 - 06:54
Description

Chimera is a program for interactive visualization and analysis of molecular structures and related data, including density maps, supramolecular assemblies, sequence alignments, docking results, trajectories, and conformational ensembles. High-quality images and animations can also be generated. Chimera includes documentation and tutorials, and can be downloaded free of charge for academic, government, non-profit, and personal use. Chimera was developed at UCSF and was funded by the National Institute of Health.

Symmetry, Group Theory, and Computational Chemistry

Submitted by Joanne Stewart / Hope College on Mon, 06/24/2013 - 22:46

These Learning Objects were used in an advanced undergraduate chemistry course that used computational chemistry as an integrative tool to help students deepen their understanding of structure, bonding, and reactivity and practice their integrative expertise by addressing complex problems in the literature and in their own research.

Student Led Point Group Determinations

Submitted by John Lee / University of Tennessee Chattanooga on Tue, 06/18/2013 - 09:43
Description

All chemistry is learned best by "doing," and I believe this is especially true for determining molecular symmetry.  This activity was designed to end a three-part lecture/activity on symmetry and point groups for my advanced inorganic class.  I call this unit on symmetry a lecture/activity series because it was designed to be student-guided learning and requires the students to teach each other how to determine a molecular point group.  I only gave one formal lecture on symmetry and point groups, which was followed by the symmetry scavenger hunt activity LO.  Finally this assignment was do

A Visual Isotope Effect (a YouTube video)

Submitted by Dan O'Leary / Pomona College on Wed, 04/24/2013 - 17:46
Description

We have prepared a YouTube video demonstrating a visually accessible kinetic isotope effect in the Cr(VI) oxidation process, a reaction commonly encountered in introductory organic chemistry. The demo provides students with an opportunity to see an isotope effect and then understand how it can be used to provide mechanistic evidence for the identification of a rate-determining reaction step.

Computational Chemistry

Submitted by Lori Watson / Earlham College on Mon, 02/25/2013 - 16:07

My first computational collection

Semi-Quantitative Molecular Orbital Diagrams

Submitted by Gerard Rowe / University of South Carolina Aiken on Thu, 02/14/2013 - 10:25
Description

In this activity, students construct molecular orbital correlation diagrams for several species (H2, He2, HeH), in a semi-quantitative fashion using a ruler and a list of first ionization energies.  All the MO schema are placed on a common energy scale, and the stability of each orbital is reported using "cm from the top of the paper" as the unit of energy.

(mu-NO)2[CoCp]2 is not paramagnetic

Submitted by Joanne Stewart / Hope College on Fri, 10/26/2012 - 02:05
Description

In this paper by Andersen and Berg (J. Am. Chem. Soc., 1988, 110 (14), pp 4849–4850) the authors present magnetic measurements that refute the calculated ground state of an organometallic cobalt nitrosyl dimer. Students will learn about two physical techniques for measuring magnetism and will learn how magnetic measurements can be used to indicate paramagnetism versus diamagnetism.

Metal-Ligand Multiple Bonds and Frustrated Lewis Pairs

Submitted by Matt Whited / Carleton College on Wed, 10/10/2012 - 14:40
Description

This is a literature-based activity that focuses on a review I recently published as part of a thematic series on C-H activation.

The review highlights similarities between the newly discovered frustrated Lewis pairs and polarized metal-ligand multiple bonds.  There are many ways to use the review, but the attached set of questions focuses on drawing analogies among seemingly diverse types of reactivity using frontier-molecular-orbital considerations.

The Lewis Dot Structure(s) of Nitryl Fluoride

Submitted by Sheila Smith / University of Michigan- Dearborn on Wed, 09/26/2012 - 20:43
Description

This is the In Class Activity that I use to review the concepts of Lewis Dot Structures, LDS, (connectivity, resonance, formal charges, etc.) learned in General Chemistry and to introduce new ideas of resonance contributions to the character of the molecule.  The question itself is apparently very simple, but the discussion that it produces can be quite rich and brings in both new and old ideas of LDS, providing both a good review and a good segue into advanced ideas of Lewis Dot Structures.

Quiz Show Review of Simple Bonding Theory

Submitted by Carol Breaux / College of the Ozarks on Mon, 07/16/2012 - 15:13
Description

 

This is a powerpoint quiz show review that can be used to help students assess themselves on their level of understanding of simple bonding theory and some simple molecular orbital theory. It is appropriate for use in a general chemistry course or at the beginning of an advanced inorganic chemistry course to review simple bonding theory.  It was developed as an alternative to using clickers for those departments that do not have clickers or would prefer not to set up clicker questions.  Correct answers are shown at the end of each slide. 

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