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Filtering by: Subject Molecular dynamics -- Mathematical models

Application of the least squares criterion to the determination of molecular compliance constants

Creator:

Ottinger, Robert Stanley

Abstract:

The development of a least squares model for the determination of compliance constants from various combinations of vibration frequency, mean square amplitudes of vibration and centrifugal distortion data is discussed. The resultant model is applied to frequency and mean square amplitude data for NO₂ and N₂O₄ and to frequency and...

Resource Type:

Dissertation