Unconstrained and X-ray constrained extremely localized molecular orbitals: analysis of the reconstructed electron density (Q2808973)
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scientific article; zbMATH DE number 6585921
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| English | Unconstrained and X-ray constrained extremely localized molecular orbitals: analysis of the reconstructed electron density |
scientific article; zbMATH DE number 6585921 |
Statements
Unconstrained and X-ray constrained extremely localized molecular orbitals: analysis of the reconstructed electron density (English)
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27 May 2016
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X-ray constrained wavefunction
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extremely localized molecular orbital
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high-resolution X-ray diffraction
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glycylglycine
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0.757975697517395
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0.7362701296806335
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0.6263370513916016
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0.6251814365386963
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