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Other Resources: 11 results
Werner and Jørgensen Bond Theory  David M. Whisnant, Laura Yindra
This simulation begins in the period around 1870 when chemistry is beginning to be organized. The concept, introduced by Kekulé and Couper, of tetravalent carbon atoms capable of linking to each other has permitted the rise of structural concepts in organic chemistry.
Nomenclature / Units / Symbols |
Valence Bond Theory
The Evolution of Bond Theory  David M. Whisnant, Laura Yindra
In chemistry lectures we have little time to discuss the history of chemistry. This simulation begins with the development of valence concepts in the 19th century. We will step back into the 19th century to see how theories of chemical combination changed during that time.
Nomenclature / Units / Symbols |
Valence Bond Theory
Interactive Molecular Orbitals  William F. Coleman
The majority of Introductory Chemistry texts provide students with an adequate introduction to the visual aspects of the molecular orbital model for homonuclear diatomic molecules. The treatment of heteronuclear diatomic and polyatomic molecules is less uniform. Heteronuclear diatomics, when mentioned, are invariably treated as being derived from homonuclear diatomics. While the atomic orbital energy level differences in heteronuclear diatomics is sometimes pictured, the consequences of those differences for the resultant molecular orbitals are rarely discussed. The discussion of polyatomic molecular orbitals in these texts is limited to showing that parallel p-orbitals produce delocalized pi molecular orbitals. The molecules typically mentioned in this context are benzene, nitrate ion and carbonate ion. However, It is rarely pointed out that the six p-orbitals in benzene would form 6 pi molecular orbitals, and that only one of these orbitals would look like the picture in the text.These interactive modules are designed to clarify this subject.
MO Theory
Molecular Orbitals  Ed Vitz, John W. Moore
A section of ChemPrime, the Chemical Educations Digital Library's free General Chemistry textbook.
MO Theory |
Magnetic Properties
Delocalized Electrons  Ed Vitz, John W. Moore
A section of ChemPrime, the Chemical Educations Digital Library's free General Chemistry textbook.
Resonance Theory |
MO Theory
Hybrid Orbitals  Ed Vitz, John W. Moore
A section of ChemPrime, the Chemical Educations Digital Library's free General Chemistry textbook.
Molecular Properties / Structure |
MO Theory
Interactive Molecular Orbital Diagrams  William F. Coleman
Here is an application for constructing the molecular orbital electron configurations of heteronuclear diatomic molecules. Energy level diagrams are given for the two different cases encountered in heteronuclear diatomics of the first short period (Li2 - Ne2). This is a useful tool for having students explore questions of bond order, magnetic properties and numbers of unpaired electrons.
Covalent Bonding |
MO Theory |
Enrichment / Review Materials
Heteronuclear Diatomic Molecular Orbital Formation  William F. Coleman
Here is a set of movies that demonstrates heteronuclear diatomic molecular orbital formation. The orbitals start at a distance where there is little or no interatomic interaction and move to the appropriate bond distance. Orbital phase is shown by the different colors.
Covalent Bonding |
MO Theory |
Enrichment / Review Materials
Hückel Determinant Solver  Robert M. Hanson
Generates energy diagrams for simple Hückel molecular orbital systems using JavaScript. You can specify the determinant or select one for a specific compound from a list.
Computational Chemistry |
MO Theory |
Theoretical Chemistry |
Enrichment / Review Materials
Inorganic Molecules; A Visual Database  Charles E. Ophardt, Evan M. Davis, Dustin Underwood
Inorganic Molecules: A Visual Data Base contains text and graphics describing 66 molecules and ions commonly used as examples in general chemistry courses. For each molecule, fifteen molecular properties are presented visually by eight or nine different molecular models created by the CAChe Scientific Molecular Modeling program.
Atomic Properties / Structure |
MO Theory |
Molecular Properties / Structure
Restricted Hartree-Fock SCF Calculations Using Microsoft Excel  Mark A. Freitag, Cortney A. Boots, Taylor R. Page
Courses in computational chemistry are increasingly common at the undergraduate level. Excellent user-friendly programs, which make the execution of ab initio calculations quite simple, are available. However, there is a danger that the underlying SCF procedure (usually coupled with contracted Gaussian atomic orbital basis sets) can become a ?black box? for the student. This Microsoft Excel spreadsheet contains all the essential elements of far more complicated ab initio calculations, but on the simplest possible molecular system.
Computational Chemistry |
Mathematics / Symbolic Mathematics |
MO Theory |
Quantum Chemistry |
Theoretical Chemistry