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  2. List of important publications in chemistry - Wikipedia

    en.wikipedia.org/wiki/List_of_important...

    3.1 Chemical Applications of Group Theory. 3.2 Advanced Inorganic Chemistry. ... This is a list of important publications in chemistry, organized by field. [1] [2] [3 ...

  3. List of quantum chemistry and solid-state physics software

    en.wikipedia.org/wiki/List_of_quantum_chemistry...

    Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods .

  4. List of chemistry journals - Wikipedia

    en.wikipedia.org/wiki/List_of_chemistry_journals

    This is a list of scientific journals in chemistry and its various subfields. For journals mainly about materials science, see List of materials science journals. A

  5. List of chemical process simulators - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_process...

    This is a list of software used to simulate the material and energy balances of chemical process plants. Applications for this include design studies, engineering studies, design audits, debottlenecking studies, control system check-out, process simulation, dynamic simulation, operator training simulators, pipeline management systems, production management systems, digital twins.

  6. Mathematical chemistry - Wikipedia

    en.wikipedia.org/wiki/Mathematical_chemistry

    Mathematical chemistry [1] is the area of research engaged in novel applications of mathematics to chemistry; it concerns itself principally with the mathematical modeling of chemical phenomena. [2] Mathematical chemistry has also sometimes been called computer chemistry , but should not be confused with computational chemistry .

  7. List of reagents - Wikipedia

    en.wikipedia.org/wiki/List_of_reagents

    the simplest aldehyde; an important precursor to many other chemical compounds, such as polymers and polyfunctional alcohols Formic acid: the simplest carboxylic acid; often used as a source of the hydride ion Grignard reagents: the most common application is for alkylation of aldehydes and ketones: [4] Hexamethylphosphoramide

  8. Applications of quantum mechanics - Wikipedia

    en.wikipedia.org/wiki/Applications_of_quantum...

    The application of quantum mechanics to chemistry is known as quantum chemistry. Quantum mechanics can also provide quantitative insight into ionic and covalent bonding processes by explicitly showing which molecules are energetically favorable to which others and the magnitudes of the energies involved. [1]

  9. 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 ]

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