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).
This is the fifth 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 course introduces the chemistry of transition metals and main group elements. Topics include theories of bonding, kinetics and mechanisms of reactions of transition metal complexes, oxidation-reduction reactions, hard-soft acid-base theory, and solid-state chemistry. Applications of inorganic chemistry to other areas (organic, analytical, and physical chemistry, as well as biology and biochemistry) are highlighted throughout the course. The laboratory portion of the course involves the synthesis and spectroscopic investigation of inorganic complexes.
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).
This course introduces the organometallic chemistry of the transition metals and main group elements with emphasis on common structural features and basic reaction types. The role of organometallic complexes in catalysis is also explored.
An introduction to modern inorganic chemistry, including a description of transition- metal complexes and their role as catalysts, and a survey of the reactivity of selected elements of the main group. Three-hour lecture, three-hour laboratory
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).