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First-Principle Calculation of Reduced Masses in Vibrational Analysis Using Generalized Internal Coordinates: Some Crucial Aspects and Examples

Jernej Stare. First-Principle Calculation of Reduced Masses in Vibrational Analysis Using Generalized Internal Coordinates: Some Crucial Aspects and Examples. Journal of Chemical Information and Computer Sciences, 47(3):840-850, 2007. [doi]

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