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Molecular force field assignment method, molecular force field assignment apparatus and molecular force field assignment program
Molecular force field assignment method, molecular force field assignment apparatus and molecular force field assignment program
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机译:分子力场分配方法,分子力场分配装置和分子力场分配程序
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摘要
A molecular force field assignment method for assigning a molecular force field to a molecule having a desired molecular structure, includes a step of specifying a combination according to whether or not an interatomic distance between a first and second atoms, obtained by analyzing a molecular structure with a molecular orbital method, exceeds a prescribed threshold value.
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