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1 | <html> |
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2 | <body> |
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3 | <h4>Scattering Length Density (SLD) Calculator</h4> |
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4 | <ul> |
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5 | <li><a href="#SLD_calculator">Description</a></li> |
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6 | <li><a href="#How to use">How to format the compound name?</a></li> |
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7 | </ul> |
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8 | <h5><a name="SLD_calculator">Description</a></h5> |
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9 | <p> |
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10 | The neutron scattering length density is defined as: <br> |
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11 | SLD = (b_c1 +b_c2+...+b_cn )/Vm <br> where b_ci is the bound coherent scattering length of ith of |
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12 | n atoms in a molecule with the molecular volume Vm |
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13 | </p> |
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14 | |
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15 | |
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16 | <h5><a name="How to use">How to format the compound name?</a></h5> |
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17 | <p> |
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18 | To calculate scattering length densities enter a compound and |
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19 | a mass density and click "Calculate". Enter a wavelength value is optional and its default |
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20 | value will be 6.0A. |
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21 | </p> |
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22 | <p> |
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23 | <ul> |
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24 | <li>Formula strings consist of counts and atoms such as "CaCO3+6H2O".</li> |
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25 | <li>Groups can be separated by <b>'+'</b> or <b>space</b>, so "CaCO3 6H2O" works as well.</li> |
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26 | <li>Groups and be defined using parentheses, such as "CaCO3(H2O)6".</li> |
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27 | <li>Parentheses can nest: "(CaCO3(H2O)6)1".</li> |
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28 | <li>Isotopes are represented by index, e.g., "CaCO[18]3+6H2O".</li> |
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29 | More examples: H[1], H[2]. |
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30 | <li>Counts can be integer or decimal, e.g. "CaCO3+(3HO0.5)2".</li> |
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31 | Other compositions can be calculated as well,<br> |
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32 | for example a 70-30 mixture of H2O/D2O can be written as <b>H14O7+ D6O3</b><br> |
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33 | or more simply <b>H7D3O5 <\b>(i.e. 7 hydrogens, 3 deuteriums, and 5 oxygens)<br> |
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34 | and the mass density calculated based on the percentages of H and D. |
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35 | Type for example "C[13]6 H[2]12 O[18]6" for C(13)6H(2)12O(18)6 (6 Carbon-13 atoms, 12 deuterium atoms, and 6 Oxygen-18 atoms) |
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36 | |
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37 | </ul> |
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38 | </p> |
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39 | |
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40 | </body> |
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41 | |
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42 | <\html> |
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