The spring 2008 version of the course syllabus for Chemistry 164, molecular structure and modeling, listing information on the instructor, texts, graded exercises and tentative schedule.
An annotated bibliography for Chemistry 164, Molecular Structure and Modeling, involving molecular modeling techniques and the comparison of experimental methods of structure determination.
Chemistry-Study and teaching; Homework; Molecules-Models; Molecular structure; Spectroscopy, Nuclear magnetic resonance; Isomerism
Exercise in which the task is to use a molecular mechanics module to validate the claims of a study of the vibrational spectroscopy of N-acetyl-S-tryptophane methyl amide.
Chemistry-Study and teaching; Homework; Molecules-Models; Chemical bonds; Quantum chemistry; Dimers
Exercise in which the task is to perform calculations and alter structures relating to dimerization reactions and analyze the results of data similarities and differences.
Chemistry-Study and teaching; Homework; Molecules-Models; Molecular structure; Quantum chemistry; Infrared spectroscopy; Raman spectroscopy; Spectroscopy, Nuclear magnetic resonance
Exercise in which the task is to use ab initio quantum mechanics as a tool for resolving the ambiguities in the determination of the three-dimensional structure of beryllium borohydride.
Chemistry-Study and teaching; Homework; Dimers; Quantum chemistry; Molecules-Models; Isomerism
Exercise in which the task is to employ the ab initio quantum mechanics features of Spartan in the identification and characterization of the stable form(s) of the dimer. Calculate both the energy and vibrational frequencies and construct the...
Chemistry-Study and teaching; Homework; Molecules-Models
Experiment in which the task is to develop a teaching module that employs molecular modeling to validate a claim made in a course or to illustrate a principle.
Chemistry-Study and teaching; Homework; Molecular structure; Molecules-Models
This index for the Molecular Zoo provides for selected organic molecules results from experimental and modeling methods. These instrumental and computational methods produce detailed three-dimensional, gas-phase structures; the results enable a...
Chemistry-Study and teaching; Handouts; Molecules; Conformational analysis
Description of how to use the software involved in many of the exercises for Chemistry 164, focusing on answers to frequently asked questions on how to search for conformers in the program Spartan along with a help file from Wavefunction.
