Archives of Organic and InorganicChemical Sciences
Review Article Geometry OptimizationGeometry optimization is very important in Computational Chemistry. It involves taking the geometric approximations and making them as exact as possible. It involves a series of computing process or repeated mathematical calculations performed on the molecule until the energy of the molecule reach a minimum. Three types of calculations can be performed: a)Molecular Mechanics b)Ab-Initio c)Semi-Empirical Calculation These Calculations are used to optimize the geometry and this depends basically on the type of level of calculations and the basis
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