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.

Trends in Measured Redox Potentials and Computed Molecular Orbital Energies of Derivatized Buckminsterfullerenes

Submitted by Robert Q. Topper / Cooper Union on Tue, 06/25/2013 - 01:55
Description

In this project students are asked to reproduce published calculations of molecular orbital energies of a series of derivatized fullerenes and correlate them with published reduction and oxidation potentials obtained from cyclic voltammetry. The particular subset of the derivatives to be studied are chosen by the student and this choice is part of the learning activity. The students then carry out additional calculations using other theoretical models to see whether they improve the correlation between computed and experimental properties.

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.

A DFT Study of Metal Pentacarbonyls

Submitted by Sibrina Collins / College of Arts and Sciences at Lawrence Technological University on Thu, 05/09/2013 - 16:57
Description

Metal carbonyls are the most widely studied organometallic complexes.  This exercise uses Gaussian with the GaussView interface to investigate the role of the metal centers on backbonding to the CO ligand. Density Functional Theory (DFT) methods were used to evaluate two classic metal pentacarbonyls, namely Fe(CO)5 and Ru(CO)5.

 

General Chemistry Electronic Study Aids

Submitted by David Kreller / Georgia Southern University on Sun, 04/21/2013 - 13:14
Description

At this website students can access interactive game-like learning resources that cover a wide range of topics in general chemistry.  These learning activities, which are in the form of flash cards, quizzes and matching games, will help student learn and review/drill important general chemistry topics. 

The Guided Tour of Metalloproteins

Submitted by Anthony L. Fernandez / Merrimack College on Tue, 04/09/2013 - 07:41
Description

Bob Morris of the University of Toronto created this website when he was teaching a class on Bioinorganic Chemistry.

Online Courses Directory

Submitted by Adam Johnson / Harvey Mudd College on Mon, 04/01/2013 - 07:41
Description

This website is a free and comprehensive resource that is a collection of open college courses that spans videos, audio lectures, and notes given by professors at a variety of universities. The website is designed to be friendly and designed to be easily accessed on any mobile device.

So Much Nitrogen: Maggie's Explosive Main Group Compounds

Submitted by W. Stephen McNeil / University of British Columbia Okanagan on Thu, 03/21/2013 - 00:47

Maggie Geselbracht has a great fondness for compounds with too many nitrogen atoms next to each other.  This is a collection of problem sets and class activites based on the structure, bonding, and spectroscopy of a number of such compounds, drawn from the recent literature.

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.

Atomic Orbital Display

Submitted by Flick Coleman / Wellesley College on Thu, 10/04/2012 - 12:26
Description

This is a jmol display of the atomic orbitals from 1s to 4f that can be rotated in space. They are plotted relative to the x, y, and z-axes.

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