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Structural and energetic aspects of the differences between real and predicted polymorphs
M. Svärd, A. C. Rasmuson
Retired Staff
KTH Royal Institute of Technology
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Engineering
Energetics
100%
Crystal Structure
100%
Similarities
50%
Molecular Mechanics
50%
Energy Minimisation
50%
Aromatics
50%
Reasonable Range
50%
Extracted Compound
50%
Structural Similarity
50%
Chemistry
Energetics
100%
Crystal Energy
100%
Crystal Structure
50%
Molecular Mechanic
25%
Aromatic Compound
25%
Hydrogen Bonding
25%
Energy Minimization
25%
Structure Prediction
25%
Structural Motif
25%
Material Science
Crystal Structure
100%
Density
50%
Hydrogen Bonding
50%
Structure Prediction
50%
Structural Motif
50%
Food Science
Structural Motif
100%
Structure Prediction
100%
Chemical Engineering
Molecular Mechanics
100%
Aromatic Compound
100%