Category:Computational chemistry
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Subcategories
This category has the following 7 subcategories, out of 7 total.
*
- Computational chemists (2 C, 183 P)
C
- Computational chemistry software (3 C, 104 P)
E
- Electronic structure methods (4 C, 39 P)
F
- Force fields (chemistry) (13 P)
M
- Molecular dynamics (2 C, 37 P)
S
Σ
- Computational chemistry stubs (58 P)
Pages in category "Computational chemistry"
The following 153 pages are in this category, out of 153 total. This list may not reflect recent changes.
C
- CAMEO3D
- Car–Parrinello molecular dynamics
- CASP
- CCP4 (file format)
- CCPForge
- Cell lists
- Centre for Theoretical and Computational Chemistry
- CHELPG
- Chemical database
- Chemical Markup Language
- Chemical space
- Chemical table file
- Cheminformatics
- Chemogenomics
- Chemometrics
- CHIMERE chemistry-transport model
- Combining rules
- Component detection algorithm
- Computational chemical methods in solid-state physics
- Computational Chemistry List
- Computational Spectroscopy In Natural Sciences and Engineering
- Computer-assisted structure elucidation
- Constraint (computational chemistry)
- COSMO solvation model
- COSMO-RS
- Coulomb operator
- Crystal structure prediction
- CSA Trust
D
E
F
J
L
M
- MBN Explorer
- Metadynamics
- Mie potential
- Mixed quantum-classical dynamics
- Modern valence bond theory
- Molecular dynamics
- Molecular mechanics
- Comparison of software for molecular mechanics modeling
- Molecular modelling
- Molecular modeling on GPUs
- Molecular orbital
- Molecule editor
- Molecule mining
- Møller–Plesset perturbation theory
- Monte Carlo method in statistical mechanics
- Morse/Long-range potential
- MRC (file format)
- Ms2 (software)
P
S
- SAMPL Challenge
- Scigress
- Scoring functions for docking
- Self-avoiding walk
- Semiclassical physics
- Sequential structure alignment program
- Sergey Piletsky
- Shifted force method
- Slater determinant
- Slater–Condon rules
- Slater-type orbital
- Smash Childhood Cancer
- Solvent model
- Spin contamination
- Stochastic process rare event sampling