Estimation of absolute and relative entr
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JΓΌrgen Schlitter
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Article
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1993
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Elsevier Science
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English
β 466 KB
A new method IS reported for estimating absolute and relative entropies of conformers of a macromolecule It 1s based on the evaluation of the covanance matnx of Cartestan posltlonal coordinates obtainable by computer slmulatlon and reqmres only calculation of a determinant The approxlmatlon for the