Theory of vibrational circular dichroism
โ Scribed by Stephens, Philip J.
- Book ID
- 111890693
- Publisher
- American Chemical Society
- Year
- 1985
- Tongue
- English
- Weight
- 596 KB
- Volume
- 89
- Category
- Article
- ISSN
- 0022-3654
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๐ SIMILAR VOLUMES
A rigorous theory of vibrational rotational strengths was recently developed by Stephens. We report the first comparisons of calculations using this theory with experimental vibrational circular dichroism data. The theory is implemented using SCF MO electronic wavefunctions and a 4-31G basis set. Th
A theory of type B magnetic vibrational circular dichroism (MVCD) is developed and applied. The motion of the nuclei is treated classically and the momentum correlation between their motion and the electronic motion is treated explicitly.
A simple multistate theory of magnetic vibrational circular dichroism (MVCD) in molecules of D, and D, symmetry is presented and used to interpret the MVCD spectrum for the 1346 cm-' fundamental in coppertetraphenylporphyrins. The perils inherent in interpreting such spectra via a single-state theor
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