Reference Type | Journal (article/letter/editorial) |
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Title | Comparing two molecular structures by using half-normal probability plots |
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Journal | Zeitschrift für Kristallographie - Crystalline Materials |
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Authors | Okada, K. | Author |
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Year | 2001 (January 1) | Volume | 216 |
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Issue | 7 |
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Publisher | Walter de Gruyter GmbH |
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DOI | doi:10.1524/zkri.216.7.384.20364Search in ResearchGate |
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| Generate Citation Formats |
Mindat Ref. ID | 116066 | Long-form Identifier | mindat:1:5:116066:0 |
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GUID | 0 |
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Full Reference | Okada, K. (2001) Comparing two molecular structures by using half-normal probability plots. Zeitschrift für Kristallographie - Crystalline Materials, 216 (7) doi:10.1524/zkri.216.7.384.20364 |
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Plain Text | Okada, K. (2001) Comparing two molecular structures by using half-normal probability plots. Zeitschrift für Kristallographie - Crystalline Materials, 216 (7) doi:10.1524/zkri.216.7.384.20364 |
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In | (2001, January) Zeitschrift für Kristallographie - Crystalline Materials Vol. 216 (7) Walter de Gruyter GmbH |
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Abstract/Notes | AbstractTo compare the molecular structures between colorless and colored forms of fluoran basic dyes, we developed a computer program COMPARE to compare two sets of isooriented orthogonal coordinates of atoms, intramolecular distances less than 4.65 Å and anisotropic displacement parameters by using half-normal probability plots. As a result the differences in the molecular structure between colorless and colored forms were observed with high sensitivity on all moieties of molecules, especially in hydrogens. |
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