Service or Tool

Gaussian 03W

University of New South Wales
University of New South Wales (Associated with)
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Contact Information

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Rm 123 School of Chemistry

Full description

Gaussian 03W is a complete implementation of Gaussian 03 for the Windows environment.

Gaussian 03W can be used to model:

-Vibrational spectra, including IR, non-resonant and pre-resonance Raman intensities, anharmonic vibrational analysis and vibration-rotation coupling.

-Magnetic properties, including NMR chem-ical shifts and spin-spin coupling constants.
Spectra of chiral molecules: optical rotations, VCD and ROA

-G tensors and other contributions to hyper-fine spectra.

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