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- methcalchim
- ====== Calculation methods applied to chemistry ====== ===== Synopsis (english) ===== ==== Mathematical... Least-Squares Curve Fitting]] Andreas Möglich, J. Chem. Educ., 2018, 95 (12), pp 2273–2278 DOI: 10.1021/... gorithm (biochemistry, mass spectrometry,...) * Chemistry * quantum calculations, optimization, mo... hanics * visualization, virtual reality * chemical informations on structures and reactions *
- numerical_methods_for_ordinary_differential_equations
- son extrapolation]] ===== Applications ===== * chemical kinetics * population dynamics, [[wp>Logist... riod doubling and routes to chaos * Oscillating chemical reactions : Belousov-Zhabotinsky, Brusselator... Generation with SymPy]] → applications to ODE and chemical kinetics * [[http://jakevdp.github.io/blog/
- partial_differential_equation
- lues. One of the most usual problems concern the chemical and thermal diffusion problem, in either stea... h heat source (or sink), and various geometry * Chemical diffusion * Heat and chemical diffusion in heterogeneous media * ion exchange chromatography =
- numerical_integration
- Spreadsheets for Applying Calculus in Upper-Level Chemistry Courses]] Paul D. Cooper, J. Chem. Educ., 2018, 95 (10), pp 1890–1893 DOI: 10.1021/acs.jchemed.8b0
- system_of_linear_equations
- lic/html/notebooks/calculation_methods_applied_to_chemistry/Gauss-Jordan-01.ipynb]] ===== Exercices and... ems with neigbours ==== * Thermal diffusion and chemical diffusion (transient or stationary) on a regu
- eigenvalues_and_eigenvectors
- on: Analysis of a simple case]] Wendell Forst, J. Chem. Educ., 1989, 66 (2), p 142 DOI: 10.1021/ed066p14