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  2. Symbolab - Wikipedia

    en.wikipedia.org/wiki/Symbolab

    Symbolab is an answer engine [1] that provides step-by-step solutions to mathematical problems in a range of subjects. [2] It was originally developed by Israeli start-up company EqsQuest Ltd., under whom it was released for public use in 2011. In 2020, the company was acquired by American educational technology website Course Hero. [3] [4]

  3. List of unsolved problems in chemistry - Wikipedia

    en.wikipedia.org/wiki/List_of_unsolved_problems...

    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?

  4. Variational quantum eigensolver - Wikipedia

    en.wikipedia.org/wiki/Variational_quantum_eigen...

    In quantum computing, the variational quantum eigensolver (VQE) is a quantum algorithm for quantum chemistry, quantum simulations and optimization problems.It is a hybrid algorithm that uses both classical computers and quantum computers to find the ground state of a given physical system.

  5. Computational chemistry - Wikipedia

    en.wikipedia.org/wiki/Computational_chemistry

    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 ]

  6. Quantum algorithm - Wikipedia

    en.wikipedia.org/wiki/Quantum_algorithm

    [1] [2] A classical (or non-quantum) algorithm is a finite sequence of instructions, or a step-by-step procedure for solving a problem, where each step or instruction can be performed on a classical computer. Similarly, a quantum algorithm is a step-by-step procedure, where each of the steps can be performed on a quantum computer.

  7. Reaction mechanism - Wikipedia

    en.wikipedia.org/wiki/Reaction_mechanism

    Instead, the slow step involves two molecules of NO 2. A possible mechanism for the overall reaction that explains the rate law is: 2 NO 2 → NO 3 + NO (slow) NO 3 + CO → NO 2 + CO 2 (fast) Each step is called an elementary step, and each has its own rate law and molecularity. The sum of the elementary steps gives the net reaction.

  8. Rate-determining step - Wikipedia

    en.wikipedia.org/wiki/Rate-determining_step

    As an example, consider the gas-phase reaction NO 2 + CO → NO + CO 2.If this reaction occurred in a single step, its reaction rate (r) would be proportional to the rate of collisions between NO 2 and CO molecules: r = k[NO 2][CO], where k is the reaction rate constant, and square brackets indicate a molar concentration.

  9. Constraint (computational chemistry) - Wikipedia

    en.wikipedia.org/wiki/Constraint_(computational...

    This problem was studied in detail by Joseph Louis Lagrange, who laid out most of the methods for solving it. [1] The simplest approach is to define new generalized coordinates that are unconstrained; this approach eliminates the algebraic equations and reduces the problem once again to solving an ordinary differential equation.

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