Gaussian Unfinished

A Computational Study of Molecular Conformers Andrew Fleming, Jordan Haskins, Gino Moore, Amanda Petty

Introduction • As bonds rotate changing a molecules conformation from anti to staggered to eclipsed, the energy associated with the atoms composing that molecule changes. The purpose of this experiment is to measure the change in energy, shielding constant,

Materials and Methods Equipment: - 4 computers equipped with Gaussian ’98 - A Computational Study of Molecular Conformers Worksheet

Materials and Methods • Using the appendix: input files for Gaussian 98, files were constructed and saved on the desktop • The files were then opened and run in Gaussian 98 to obtain all the values used in the calculations.

Results

Results

Results

Conclusion

Discussion

Citations • •

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A Computation Study of Molecular Conformers worksheet Fleming, A.J.; Physical Chemistry Laboratory Notebook, 2007 p. 25-26 Haskins, J.R.; Physical Chemistry Laboratory Notebook, 2007 p. 19-20. Moore, L.G.; Physical Chemistry Laboratory Notebook, 2007 p. 14-15. Petty, A..; Physical Chemistry Laboratory Notebook, 2007 p. 12-14