Molecular Mechanics
Classical Mechanics, Molecule, Force field (Chemistry), Van der Waals radius, Methyl Group
978-613-6-72763-9
6136727633
120
2011-08-19
39.00 €
eng
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Please note that the content of this book primarily consists of articles available from Wikipedia or other free sources online. Molecular mechanics uses Newtonian mechanics to model molecular systems. The potential energy of all systems in molecular mechanics is calculated using force fields. Molecular mechanics can be used to study small molecules as well as large biological systems or material assemblies with many thousands to millions of atoms. All-atomistic molecular mechanics methods have the following properties: Each atom is simulated as a single particle. Each particle is assigned a radius (typically the van der Waals radius), polarizability, and a constant net charge (generally derived from quantum calculations and/or experiment). Bonded interactions are treated as "springs" with an equilibrium distance equal to the experimental or calculated bond length.
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