Chemistry 891G                               Graduate Core Course                                Fall 2002

Quantum Chemistry Special Project Listing

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Project Format Requirements


 1.  Description Alkene Strain in Endocyclic versus Exocyclic Positions, I.
 2.  Description Alkene Strain in Endocyclic versus Exocyclic Positions, II.
 3.  Description Electronic and Vibrational Properties of Small Molecules – NH3 versus NF3
 4.  Description Resonance Effects in Nonalternant Aromatic Hydrocarbons.
 5.  Description Resonance Effects in Aromatic Hydrocarbons.
 6.   Description Alkene Strain in Cis versus Trans Geometries.
 7.  Description Alkene Relative Energies as a Function of Structure.
 8.  Description Conformations of Systems with Vicinal Lone Pairs, I.
 9.  Description Conformations of Systems with Vicinal Lone Pairs, II.
10.  Description Conformations of 2-Substituted Aldehydes.
11.  Description Are Formal Charges Realistic Reflections of Electronic Distribution, I?
12.  Description Are Formal Bonds Realistic Reflections of Electronic Distribution, II?
13.  Description Electrophilic Bromination of Phenol – Reaction Coordinates.
14.  Description Electrophilic Bromination of Benzaldehyde – Reaction Coordinates.
15.  Description Hydrogen Bonding in Molecular Recognition.
16.  Description Predicting Tautomeric Equilibria.
17.  Description Ionic vs. Covalent Charge Distributions.
18.  Description Aromatic Resonance Effects on Ketones, I.
19.  Description Aromatic Resonance Effects on Ketones, II.
20.  Description Small Molecule Vibrational Spectroscopy, I.
21.  Description Small Molecule Vibrational Spectroscopy, II.
22.  Description Small Molecule Vibrational Spectroscopy, III.
23.  Description Small Molecule Vibrational Spectroscopy, IV.
24.  Description Conformations of 2-Substituted Aldehydes.


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