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1 NAME
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2 InfoPeriodicTableElements.pl - List atomic properties of elements
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3
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4 SYNOPSIS
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5 InfoPeriodicTableElements.pl ElementID(s)...
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6
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7 InfoPeriodicTableElements.pl [-h, --help] [-m, --mode ElementID |
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8 AmericanGroupLabel | EuropeanGroupLabel | GroupNumber | GroupName |
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9 PeriodNumber | All] [--outdelim comma | tab | semicolon] [--output
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10 STDOUT | File] [--outputstyle ElementBlock | ElementRows] [-o,
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11 --overwrite] [--precision number] [--propertiesmode Categories | Names |
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12 All] [-p, --properties CategoryName,[CategoryName,...] |
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13 PropertyName,[PropertyName,...]] [--propertieslinting ByGroup |
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14 Alphabetical] [-q, --quote yes | no] [-r, --root rootname] [-w,
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15 --workingdir dirname] ElementID(s)...
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16
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17 DESCRIPTION
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18 List atomic properties of elements in the periodic table. A variety of
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19 methods are available to specify elements of interest: atomic numbers,
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20 element symbols, American or European style group labels, IUPAC group
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21 numbers, period numbers, and group names.
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22
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23 Atomic properties data, in addition to basic information about the
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24 periodic table elements, is also available for these categories: atomic
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25 radii, bulk properties, common valences, electronegativities, electron
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26 affinities, historical data, ionization energies, natural isotopes,
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27 oxidation states, and thermal properties.
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28
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29 Natural isotopes data include mass number, relative atomic mass and
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30 percent natural abundance for each isotope of an element.
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31
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32 PARAMETERS
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33 ElementIDs *ElementSymbol [AtomicNumber...] | GroupLabel [GroupLabel...]
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34 | GroupNumbel [GroupNumber...] | PeriodNumber [PeriodNumbe...]*
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35 Command line specification of elements is mode specific. In general,
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36 it's a space delimited list of values to identify elements. All
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37 element IDs must correspond to a specific mode; mixed specifications
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38 is not supported.
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39
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40 For *ElementID* mode, input value format is: *AtomicNumber
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41 [ElementSymbol ...]*. Default: *H*. Examples:
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42
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43 C
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44 6
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45 C N O P S Cl
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46 6 7 8 15 16 17
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47 C 7 8 15 S 17
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48
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49 For *AmericanGroupLabel* mode, input value format is: *GroupLabel
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50 [GroupLabel ...]*. Default: *IA*. Possible group label values are:
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51 *IA IIA IIIB IVB VB VIB VIIB VIII or VIIIB IB IIB IIIA IVA VA, VIA,
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52 VIIA, VIIA*. Examples:
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53
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54 IA
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55 IA IVA IIB
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56
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57 For *EuropeanGroupLabel* mode, input value format is: *GroupLabel
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58 [GroupLabel ...]*. Default: *IA*. Possible group label values are:
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59 *IA IIA IIIA IVA VA VIA VIIA VIII or VIIIA IB IIB IIIB IVB VB, VIB
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60 VIIB VIIB*. Examples:
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61
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62 IA
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63 IA IVB IIB
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64
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65 For IUPAC *GroupNumber* mode, input value format is: *GroupNumber
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66 [GroupNumber...]*. Default: *1*. Possible group label values are: *1
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67 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18*. Examples:
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68
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69 1
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70 1 14 12
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71
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72 For *GroupName* mode, input value format is: *GroupName
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73 [GroupName...]*. Default: *AlkaliMetals*. Possible group name values
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74 are: *AlkaliMetals AlkalineEarthMetals Chalcogens CoinageMetals
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75 Halogens NobleGases Pnictogens Lanthanides or Lanthanoids, Actinides
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76 or Actinoids*. Examples:
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77
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78 AlkaliMetals
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79 AlkaliMetals Halogens NobleGases
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80
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81 For *PeriodNumber* mode, input value format is: *PeriodNumber
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82 [PeriodNumber,...]*. Default: *1*. Possible group label values are:
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83 *1 2 3 4 5 6 7*. Examples:
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84
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85 1
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86 1 2 3
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87
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88 For *All* mode, no input value is needed and atomic properties
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89 information is listed for all the elements.
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90
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91 OPTIONS
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92 -h, --help
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93 Print this help message.
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94
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95 -m, --mode *ElementID | AmericanGroupLabel | EuropeanGroupLabel |
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96 GroupNumber | GroupName | PeriodNumber | All*
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97 Specify elements for listing atomic properties using one of these
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98 methods: atomic numbers and/or element symbols list, American style
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99 group labels, European style group labels, IUPAC group number, group
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100 names, period numbers, or all elements.
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101
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102 Possible values: *ElementID, AmericanGroupLabel, EuropeanGroupLabel,
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103 GroupNumber, GroupName, PeriodNumber, All*. Default: *ElementID*.
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104
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105 --outdelim *comma | tab | semicolon*
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106 Output text file delimiter. Possible values: *comma, tab, or
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107 semicolon* Default value: *comma*.
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108
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109 --output *STDOUT | File*
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110 List information at STDOUT or write it to a file. Possible values:
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111 *STDOUT or File*. Default: *STDOUT*. -r, --root option is used to
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112 generate output file name.
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113
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114 --outputstyle *ElementBlock | ElementRows*
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115 Specify how to list element information: add a new line for each
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116 property and present it as a block for each element; or include all
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117 properties in one line and show it as a single line.
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118
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119 Possible values: *ElementBlock | ElementRows*. Default:
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120 *ElementBlock*
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121
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122 An example for *ElementBlock* output style:
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123
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124 Atomic number: 1
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125 Element symbol: H
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126 Element name: Hydrogen
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127 Atomic weight: 1.00794
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128 ... ...
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129 ... ...
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130
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131 Atomic number: 6
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132 Element symbol: C
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133 Element name: Carbon
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134 Atomic weight: 12.0107
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135 ... ...
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136 ... ...
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137
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138 An example for *ElementRows* output style:
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139
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140 Atomic number, Element symbol, Elemenet name, Atomic weight, ...
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141 1,H,Hydrogen,1.00794,..
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142 6,C,Carbon,12.0107,..
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143
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144 -o, --overwrite
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145 Overwrite existing files.
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146
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147 --precision *number*
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148 Precision for listing numerical values. Default: up to *4* decimal
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149 places. Valid values: positive integers.
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150
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151 --propertiesmode *Categories | Names | All*
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152 Specify how property names are specified: use category names;
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153 explicit list of property names; or use all available properties.
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154 Possible values: *Categories, Names, or All*. Default: *Categories*.
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155
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156 This option is used in conjunction with -p, --properties option to
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157 specify properties of interest.
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158
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159 -p, --properties *CategoryName,[CategoryName,...] |
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160 PropertyName,[PropertyName,...]*
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161 This option is --propertiesmode specific. In general, it's a list of
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162 comma separated category or property names.
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163
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164 Specify which atomic properties information to list for the elements
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165 specified using command line parameters: list basic and/or isotope
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166 information; list all available information; or specify a comma
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167 separated list of atomic property names.
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168
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169 Possible values: *Basic| BasicAndNaturalIsotope | NaturalIsotope |
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170 PropertyName,[PropertyName,...]*. Default: *Basic*.
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171
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172 *Basic* includes: *AtomicNumber, ElementSymbol, ElementName,
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173 AtomicWeight, GroundStateConfiguration, GroupNumber, PeriodNumber,
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174 FirstIonizationEnergy*.
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175
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176 *NaturalIsotope* includes: *AtomicNumber, ElementSymbol,
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177 ElementName, MassNumber, RelativeAtomicMass, NaturalAbundance*.
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178
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179 Here is a complete list of available properties:
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180 AllenElectronegativity, AllredRochowElectronegativity, AtomicNumber,
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181 AtomicRadiusCalculated, AtomicRadiusEmpirical, AtomicWeight, Block,
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182 BoilingPoint, BondLength, BrinellHardness, BulkModulus,
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183 Classification, CoefficientOfLinearExpansion, Color, CommonValences,
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184 LowestCommonValence, HighestCommonValence, CommonOxidationNumbers,
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185 LowestCommonOxidationNumber, HighestCommonOxidationNumber,
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186 CovalentRadiusEmpirical, CriticalTemperature, DensityOfSolid,
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187 DiscoveredAt, DiscoveredBy, DiscoveredWhen, ElectricalResistivity,
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188 ElectronAffinity, ElementName, ElementSymbol, EnthalpyOfAtmization,
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189 EnthalpyOfFusion, EnthalpyOfVaporization, FirstIonizationEnergy,
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190 GroundStateConfiguration, GroundStateLevel, GroupName, GroupNumber,
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191 NaturalIsotopeData, MeltingPoint, MineralHardness, MolarVolume,
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192 MullikenJaffeElectronegativity, OriginOfName,
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193 PaulingElectronegativity, PeriodNumber, PoissonsRatio, Reflectivity,
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194 RefractiveIndex, RigidityModulus, SandersonElectronegativity,
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195 StandardState, SuperconductionTemperature, ThermalConductivity,
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196 VanderWaalsRadius, VelocityOfSound, VickersHardness, YoungsModulus.
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197
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198 --propertieslisting *ByGroup | Alphabetical*
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199 Specify how to list properties for elements: group by category or an
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200 alphabetical by property names. Possible values: *ByGroup or
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201 Alphabetical*. Default: *ByGroup*. During *Alphabetical* listing,
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202 element identification data - *AtomicNumber, ElementSymbol,
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203 ElementName* - is show first, and natural isotope data -
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204 *MassNumber, RelativeAtomicMass, NaturalAbundance* - is listed in
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205 the end.
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206
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207 -q, --quote *yes | no*
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208 Put quotes around column values in output text file. Possible
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209 values: *yes or no*. Default value: *yes*.
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210
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211 -r, --root *rootname*
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212 New text file name is generated using the root: <Root>.<Ext>. File
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213 name is only used during *File* value of -o, --output option.
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214
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215 Default file name: PeriodicTableElementsInfo<mode>.<Ext>. The csv,
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216 and tsv <Ext> values are used for comma/semicolon, and tab delimited
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217 text files respectively.
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218
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219 -w, --workingdir *dirname*
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220 Location of working directory. Default: current directory.
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221
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222 EXAMPLES
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223 To list basic atomic properties information for element H, type:
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224
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225 % InfoPeriodicTableElements.pl
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226
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227 To list basic atomic properties information for elements C,N,O and F,
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228 type:
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229
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230 % InfoPeriodicTableElements.pl C N O F
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231
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232 To list all available atomic properties information for elements C,N,O
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233 and F, type:
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234
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235 % InfoPeriodicTableElements.pl --propertiesmode all 6 N O 9
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236
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237 To list basic and natural isotope information for elements C,N,O and F,
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238 type:
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239
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240 % InfoPeriodicTableElements.pl --propertiesmode Categories
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241 --properties BasicAndNaturalIsotope C N O F
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242
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243 To list AtomicNumber, ElementName, AtomicWeight and CommonValences
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244 information for elements C,N,O and F, type:
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245
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246 % InfoPeriodicTableElements.pl --propertiesmode Names
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247 --properties AtomicNumber,ElementName,AtomicWeight,CommonValences
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248 C N O F
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249
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250 To alphabetically list basic and natural isotope information for
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251 elements C,N,O and F in rows instead of element blocks with quotes
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252 around the values, type:
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253
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254 % InfoPeriodicTableElements.pl --propertiesmode Categories
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255 --properties BasicAndNaturalIsotope --propertieslisting alphabetical
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256 --outdelim comma --outputstyle ElementRows --quote yes C N O F
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257
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258 To alphabetically list all available atomic information for elements
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259 C,N,O and F in rows instead of element blocks with quotes around the
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260 values and write them into a file ElementProperties.csv, type:
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261
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262 % InfoPeriodicTableElements.pl --propertiesmode Categories
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263 --properties BasicAndNaturalIsotope --propertieslisting alphabetical
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264 --outdelim comma --outputstyle ElementRows --quote yes
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265 --output File -r ElementsProperties -o -m All
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266
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267 To list basic atomic properties information for elements in groups IA
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268 and VIA using American style group labels, type:
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269
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270 % InfoPeriodicTableElements.pl -m AmericanGroupLabel IA VIA
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271
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272 To list basic atomic properties information for elements in groups IA
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273 and VB using European style group labels, type:
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274
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275 % InfoPeriodicTableElements.pl -m AmericanGroupLabel IA VB
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276
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277 To list basic atomic properties information for elements in groups
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278 Halogens and NobleGases, type:
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279
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280 % InfoPeriodicTableElements.pl -m GroupName Halogens NobleGases
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281
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282 AUTHOR
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283 Manish Sud <msud@san.rr.com>
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284
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285 SEE ALSO
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286 InfoAminoAcids.pl InfoNucleicAcids.pl
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287
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288 COPYRIGHT
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289 Copyright (C) 2015 Manish Sud. All rights reserved.
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290
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291 This file is part of MayaChemTools.
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292
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293 MayaChemTools is free software; you can redistribute it and/or modify it
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294 under the terms of the GNU Lesser General Public License as published by
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295 the Free Software Foundation; either version 3 of the License, or (at
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296 your option) any later version.
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297
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