A new AMBER-compatible force field parameter set for alkanes

Alexei M Nikitin1, Yury V Milchevskiy, Alexander P Lyubartsev

  • 1Engelhardt Institute of Molecular Biology Russian Academy of Sciences, Moscow, 119991, Russia, agilemolecule@gmail.com.

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The formation of carbon-carbon bonds leading to the creation of the carbon chain is the basis of organic chemistry. August Kekulé and Archibald Scott Couper independently developed this idea of carbon chain formation.
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In the late 19th-century, the number of new chemical compounds discovered increased tremendously. Hence, the necessity arose to develop a naming system for the systematic nomenclature of these newly discovered compounds. IUPAC (International Union for Pure and Applied Chemistry), established in 1919, sets rules for the nomenclature.
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