Statistical inference for molecular shapes
Czogiel, Irina (2010) Statistical inference for molecular shapes. PhD thesis, University of Nottingham.
This thesis is concerned with developing statistical methods for evaluating and comparing molecular shapes. Techniques from statistical shape analysis serve as a basis for our methods. However, as molecules are fuzzy objects of electron clouds which constantly undergo vibrational motions and conformational changes, these techniques should be modified to be more suitable for the distinctive features of molecular shape.
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