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Substantiivi
- (mathematics, chemistry) The use of computation to predict the structure, properties and reactions of molecules
Yritit hakea fraasilla, joka sisältää useita sanoja. Parempien hakutulosten saamiseksi kokeile hakea sanoja erikseen: computational, chemistry
Samankaltaisia sanoja
- Center for Computational Aesthetics
- computation time
- computation tree logic
- computational
- computational biology
- Computational Biology Division
- computational complexity theories
- computational complexity theory
- computational design
- Computational Fluid Dynamics
- computational fluid dynamics
- computational graphics
- computational intelligence
- computational linguistics
- computational semantics
- computational tree logic
Luokat
(mathematics, chemistry) The use of computation to predict the structure, properties and reactions of molecules
C60 molecule with isosurface of ground-state electron density as calculated with density functional theory
(mathematics, chemistry) The use of computation to predict the structure, properties and reactions of molecules
Computational chemistry can help predict values like activation energy from catalysis. The presence of the catalyst opens a different reaction pathway (shown in red) with lower activation energy. The final result and the overall thermodynamics are the same.
(mathematics, chemistry) The use of computation to predict the structure, properties and reactions of molecules
Diagram illustrating various ab initio electronic structure methods in terms of energy. Spacings are not to scale.