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Protein folding problem: Is it possible to predict the secondary, tertiary and quaternary structure of a polypeptide sequence based solely on the sequence and environmental information? Inverse protein-folding problem: Is it possible to design a polypeptide sequence which will adopt a given structure under certain environmental conditions?
It is used in chemistry to keep track of the changes in amount of substance of the reactants and also organize a set of conditions that one wants to solve with. [1] Some sources refer to a RICE table (or box or chart) where the added R stands for the reaction to which the table refers. [ 2 ]
These equations cannot be solved, because each one has values that change with time. For example, the first equation contains the concentrations of [Br], [H 2] and [Br 2], which depend on time, as can be seen in their respective equations. To solve the rate equations the steady state approximation can be used.
In the following we solve the second-order differential equation called the hypergeometric differential equation using Frobenius method, named after Ferdinand Georg Frobenius. This is a method that uses the series solution for a differential equation, where we assume the solution takes the form of a series. This is usually the method we use for ...
The many-electron function is generally a linear combination of many simpler electron functions with the dominant function being the Hartree-Fock function. Each of these simple functions are then approximated using only one-electron functions. The one-electron functions are then expanded as a linear combination of a finite set of basis functions.
Differential equations such as those used to solve real-life problems may not necessarily be directly solvable, i.e. do not have closed form solutions. Instead, solutions can be approximated using numerical methods. Many fundamental laws of physics and chemistry can be formulated as differential equations.
Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [1] It uses methods of theoretical chemistry incorporated into computer programs to calculate the structures and properties of molecules , groups of molecules, and solids. [ 2 ]
In analytical chemistry, the Charlot equation, which can be used to find the pH of buffer solutions, can be solved using a cubic equation. In thermodynamics , equations of state (which relate pressure, volume, and temperature of a substances), e.g. the Van der Waals equation of state , are cubic in the volume.