User:Benjah-bmm27/CSP
Crystal structure prediction is the calculation of the crystal structure of solids from first principles.
[[Category:Crystallography]]
[[Category:Computational chemistry]]
[[Category:Theoretical chemistry]]
[[Category:Solid-state chemistry]]
References
[edit]- Acta Cryst. (2009). B65, 107-125 Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test
- Chem. Commun. (2009) 3181-3183 Crystal structure determination of the elusive paracetamol Form III
Related articles
[edit]
- Computational chemical methods in solid state physics
- Gautam Radhakrishna Desiraju
- Intermolecular force
- Solid-state chemistry
- Supramolecular chemistry
- Noncovalent bonding
- Molecular self-assembly
- Cambridge Structural Database
- Crystal engineering
- CrystEngComm
- Phase transition
- Hydrogen bond
- X-ray scattering techniques
- X-ray crystallography
- Powder diffraction
- International Centre for Diffraction Data
- Dynamical theory of diffraction
- Crystallographic point group
- Crystallography
- Bravais lattice
- Differential scanning calorimetry
- Data mining
- Ab initio quantum chemistry methods
- Distributed Multipole Analysis