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Computational studies of Polymorphs: Applications

Computational studies of Polymorphs: Applications. Sarah (Sally) L Price Department of Chemistry UCL. The aim of crystal structure prediction. A computational method to predict the crystal structure(s) for a molecule from the chemical diagram

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501 views • 40 slides

To understand molecular structure and bond angles To learn to predict molecular geometry from the number of electron pa

Objectives. To understand molecular structure and bond angles To learn to predict molecular geometry from the number of electron pairs To learn to apply the VSEPR model to molecules with double bonds .

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180 views • 15 slides

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Computational studies of Polymorphs: Applications

To understand molecular structure and bond angles To learn to predict molecular geometry from the number of electron pa