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).
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.
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).
This is the first 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).
This in-class activity was designed for a Chemical Communications course with second-year students. It is the first part of a two-week segment in which students learn how to use Chemdraw (or similar drawing software) to create digital drawings of molecules.
This literature discussion focuses upon two journal articles by the Rebek group on the synthesis and host-guest chemistry observed with the "tennis ball."
The Rebek Laboratory homepage contains information on and molecular visualizations of a variety of host-guest systems developed by the research group over several decades. The theme behind this set of examples is the use of hydrogen-bonding to achieve self-assembly. Under the "Research" tab, one can find four videos with narration: an introduction to molecular assembly and three videos of specific examples of self-assembled host systems (the cavitand, the cylinder and the volleyball).
This in-class activity was designed for a Chemical Communications course with second-year students. It is the second part of a two-week segment in which students learn how to use ChemDraw (or similar drawing software to create digital drawings of molecules).
This course is composed of two components:
A. Lecture:
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.