The attached lecture provides a brief overview to computational methods and introduces their application to inorganic systems. Two specific literature examples are included. I have given this lecture in a senior level advanced inorganic chemistry class for the past 3 years.
This laboratory exercise was developed to compliment several weeks of freshmen or sophomore level quantum chemistry lecture material at our institution. The students meet in a computer lab on campus and use the software package known as GaussView.
Molecular models and selected molecular orbital surfaces and slices were calculated with Spartan for HF, LiH, CO2, XeF2, and BF3, and the results were used by students in an in-class activity (covering several class sessions) to answer a series of questions.
I developed this Jmol page to help my students see the relationship(s) between the ligands and metal d-orbitals in a number of different geometries. Since the images are all rotatable, students who have difficulty looking at flat images and drawing appropriate conclusions have that barrier reduced or eliminated. I have now used the application twice - this past fall in the second semester of introductory chemistry and a few weeks ago when I began ligand field theory in my inorganic course. In both classes I received favorable comments. A number of students in the inorganic course, who h
This web site contains a number of interactive spreadsheets, most of which are applicable to inorganic chemistry (or a physical chemistry class that uses inorganic examples). Here's the list of the most relevant for most inorganic classes:
ABC kinetics - interactively plot concentration versus reaction extent for A, B and C in A -> B -> C by varying k values
AuCl, and Au+) Derived from a Triphosphine-Borane. It was used to help students integrate the study of a variety of techniques (for example NMR, X-ray, computational studies) and basic organometallic chemistry into reading a "real" paper.