Dr Ned Martin |
- Computation of NMR
shielding patterns around anisotropic groups.
- Modeling physical
phenomena such as stereorecognition or NMR shielding that are
caused by molecular aggregation or through-space interactions.
- Calculation of the
energetics of reaction pathways of chemical reactions that may
be important for environmental remediation.
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Dr. Mike Messina |
- Theoretical studies
of quantum dynamics of laser-molecule interactions.
- Computation algorithms
for predicting rate constants and activation energies from experimental
data.
- Theoretical studies
of solvation of the hydrogen atom in liquids.
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