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124 .\" ========================================================================
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125 .\"
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126 .IX Title "PERIODICTABLE 1"
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127 .TH PERIODICTABLE 1 "2015-03-29" "perl v5.14.2" "MayaChemTools"
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128 .\" For nroff, turn off justification. Always turn off hyphenation; it makes
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129 .\" way too many mistakes in technical documents.
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130 .if n .ad l
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131 .nh
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132 .SH "NAME"
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133 PeriodicTable
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134 .SH "SYNOPSIS"
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135 .IX Header "SYNOPSIS"
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136 use PeriodicTable;
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137 .PP
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138 use PeriodicTable qw(:all);
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139 .SH "DESCRIPTION"
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140 .IX Header "DESCRIPTION"
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141 \&\fBPeriodicTable\fR module provides the following functions:
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142 .PP
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143 GetElementMostAbundantNaturalIsotopeData,
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144 GetElementMostAbundantNaturalIsotopeMass,
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145 GetElementMostAbundantNaturalIsotopeMassNumber, GetElementNaturalIsotopeAbundance,
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146 GetElementNaturalIsotopeCount, GetElementNaturalIsotopeMass,
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147 GetElementNaturalIsotopesData, GetElementPropertiesData,
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148 GetElementPropertiesNames, GetElementPropertiesNamesAndUnits,
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149 GetElementPropertyUnits, GetElements, GetElementsByAmericanStyleGroupLabel,
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150 GetElementsByEuropeanStyleGroupLabel, GetElementsByGroupName,
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151 GetElementsByGroupNumber, GetElementsByPeriodNumber,
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152 GetIUPACGroupNumberFromAmericanStyleGroupLabel,
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153 GetIUPACGroupNumberFromEuropeanStyleGroupLabel, IsElement,
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154 IsElementNaturalIsotopeMassNumber, IsElementProperty
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155 .SH "METHODS"
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156 .IX Header "METHODS"
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157 .IP "\fBGetElements\fR" 4
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158 .IX Item "GetElements"
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159 .Vb 2
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160 \& @ElementSymbols = GetElements();
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161 \& $ElementSymbolsRef = GetElements();
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162 .Ve
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163 .Sp
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164 Returns an array or a reference to an array of known element symbols
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165 .IP "\fBGetElementsByGroupName\fR" 4
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166 .IX Item "GetElementsByGroupName"
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167 .Vb 2
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168 \& @ElementSymbols = GetElementsByGroupName($GroupName);
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169 \& $ElementSymbolsRef = GetElementsByGroupName($GroupName);
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170 .Ve
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171 .Sp
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172 Returns an array or a reference to an array of element symbols for a specified \fIGroupName\fR.
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173 Supported \fIGroupName\fR values are: \fIAlkali metals, Alkaline earth metals, Coinage metals, Pnictogens,
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174 Chalcogens, Halogens, Noble gases\fR; Additionally, usage of \fILanthanides\fR (Lanthanoids)
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175 and \fIActinides\fR (Actinoids) is also supported.
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176 .IP "\fBGetElementsByGroupNumber\fR" 4
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177 .IX Item "GetElementsByGroupNumber"
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178 .Vb 2
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179 \& @ElementSymbols = GetElementsByGroupNumber($GroupNumber);
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180 \& $ElementSymbolsRef = GetElementsByGroupNumber($GroupNumber);
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181 .Ve
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182 .Sp
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183 Returns an array or a reference to an array of element symbols for a specified \fIGroupNumber\fR
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184 .IP "\fBGetElementsByAmericanStyleGroupLabel\fR" 4
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185 .IX Item "GetElementsByAmericanStyleGroupLabel"
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186 .Vb 2
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187 \& @ElementSymbols = GetElementsByAmericanStyleGroupLabel($GroupLabel);
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188 \& $ElementSymbolsRef = GetElementsByAmericanStyleGroupLabel($GroupLabel);
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189 .Ve
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190 .Sp
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191 Returns an array or a reference to an array of element symbols for a specified American
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192 style \fIGroupLabel\fR. Valid values for Amercian style group labels: \fI\s-1IA\s0 to \s-1VIIIA\s0, \s-1IB\s0 to \s-1VIIIB\s0, \s-1VIII\s0\fR.
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193 .IP "\fBGetElementsByEuropeanStyleGroupLabel\fR" 4
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194 .IX Item "GetElementsByEuropeanStyleGroupLabel"
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195 .Vb 2
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196 \& @ElementSymbols = GetElementsByEuropeanStyleGroupLabel($GroupLabel);
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197 \& $ElementSymbolsRef = GetElementsByEuropeanStyleGroupLabel($GroupLabel);
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198 .Ve
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199 .Sp
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200 Returns an array or a reference to an array of element symbols for a specified European
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201 style \fIGroupLabel\fR. Valid values for European style group labels: \fI\s-1IA\s0 to \s-1VIIIA\s0, \s-1IB\s0 to \s-1VIIIB\s0, \s-1VIII\s0\fR.
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202 .IP "\fBGetElementsByPeriodNumber\fR" 4
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203 .IX Item "GetElementsByPeriodNumber"
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204 .Vb 2
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205 \& @ElementSymbols = GetElementsByPeriodNumber($PeriodNumber);
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206 \& $ElementSymbolsRef = GetElementsByPeriodNumber($PeriodNumber);
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207 .Ve
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208 .Sp
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209 Returns an array or a reference to an array of element symbols for a specified \fIPeriodNumber\fR.
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210 .IP "\fBGetElementMostAbundantNaturalIsotopeData\fR" 4
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211 .IX Item "GetElementMostAbundantNaturalIsotopeData"
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212 .Vb 4
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213 \& @IsotopeData = GetElementMostAbundantNaturalIsotopeData(
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214 \& $ElementID);
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215 \& $IsotopeDataRef = GetElementMostAbundantNaturalIsotopeData(
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216 \& $ElementID);
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217 .Ve
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218 .Sp
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219 Returns an array or reference to an array containing data for most abundant isotope of
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220 an element specfied by element symbol or atomic number. Isotope data arrays contain these
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221 values: \fIAtomicNumber, IsotopeSymbol, MassNumber, RelativeAtomicMass, and NaturalAbundance\fR.
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222 .IP "\fBGetElementMostAbundantNaturalIsotopeMassNumber\fR" 4
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223 .IX Item "GetElementMostAbundantNaturalIsotopeMassNumber"
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224 .Vb 1
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225 \& $MassNumber = GetElementMostAbundantNaturalIsotopeMassNumber($ElementID);
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226 .Ve
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227 .Sp
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228 Returns mass number of most abundant natural isotope of an element specfied by element
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229 symbol or atomic number
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230 .IP "\fBGetElementNaturalIsotopeCount\fR" 4
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231 .IX Item "GetElementNaturalIsotopeCount"
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232 .Vb 1
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233 \& $IsotopeCount = GetElementNaturalIsotopeCount($ElementID);
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234 .Ve
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235 .Sp
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236 Returns natural isotope count for an element specfied by element symbol or
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237 atomic number
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238 .IP "\fBGetElementNaturalIsotopesData\fR" 4
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239 .IX Item "GetElementNaturalIsotopesData"
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240 .Vb 2
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241 \& $DataHashRef = GetElementNaturalIsotopesData($ElementID,
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242 \& [$MassNumber]);
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243 .Ve
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244 .Sp
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245 Reurns a reference to a hash containingall available isotope data for an element specified
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246 using element symbol or aromic number; an optional mass number indicates retrieve data
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247 for a specific isotope
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248 .IP "\fBGetElementNaturalIsotopeAbundance\fR" 4
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249 .IX Item "GetElementNaturalIsotopeAbundance"
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250 .Vb 2
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251 \& $Abundance = GetElementNaturalIsotopeAbundance($ElementID,
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252 \& $MassNumber);
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253 .Ve
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254 .Sp
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255 Returns percent abundance of natural isotope for an element with specfic mass
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256 number.
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257 .IP "\fBGetElementMostAbundantNaturalIsotopeMass\fR" 4
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258 .IX Item "GetElementMostAbundantNaturalIsotopeMass"
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259 .Vb 2
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260 \& $RelativeAtomicMass = GetElementMostAbundantNaturalIsotopeMass(
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261 \& $ElementID);
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262 .Ve
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263 .Sp
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264 Returns relative atomic mass of most abundant isotope for an element specified using
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265 element symbol or aromic number.
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266 .IP "\fBGetElementNaturalIsotopeMass\fR" 4
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267 .IX Item "GetElementNaturalIsotopeMass"
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268 .Vb 2
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269 \& $RelativeAtomicMass = GetElementNaturalIsotopeMass($ElementID,
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270 \& $MassNumber);
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271 .Ve
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272 .Sp
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273 Returns relative atomic mass of an element with specfic mass number.
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274 .IP "\fBGetElementPropertiesData\fR" 4
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275 .IX Item "GetElementPropertiesData"
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276 .Vb 1
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277 \& $PropertyDataHashRef = GetElementPropertiesData($ElementID);
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278 .Ve
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279 .Sp
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280 Returns a reference to a hash containing all available properties data for an element
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281 specified using element symbol or atomic number.
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282 .IP "\fBGetElementPropertyName\fR" 4
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283 .IX Item "GetElementPropertyName"
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284 .Vb 1
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285 \& $PropertyValue = GetElement<PropertyName>($ElementID);
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286 .Ve
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287 .Sp
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288 Returns value of an element for a element specified using element symbol or atomic number.
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289 .Sp
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290 These functions are not defined in this modules; these are implemented on-the-fly using
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291 Perl's \s-1AUTOLOAD\s0 funcionality.
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292 .Sp
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293 Here is the list of known element \fIproperty names\fR: AllenElectronegativity,
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294 AllredRochowElectronegativity, AtomicNumber, AtomicRadiusCalculated,
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295 AtomicRadiusEmpirical, AtomicWeight, Block, BoilingPoint, BondLength,
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296 BrinellHardness, BulkModulus, Classification, CoefficientOfLinearExpansion, Color,
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297 CommonValences, LowestCommonValence, HighestCommonValence,
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298 CommonOxidationNumbers, LowestCommonOxidationNumber, HighestCommonOxidationNumber,
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299 CovalentRadiusEmpirical, CriticalTemperature, DensityOfSolid, DiscoveredAt, DiscoveredBy,
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300 DiscoveredWhen, ElectricalResistivity, ElectronAffinity, ElementName, ElementSymbol, EnthalpyOfAtmization,
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301 EnthalpyOfFusion, EnthalpyOfVaporization, FirstIonizationEnergy, GroundStateConfiguration, GroundStateLevel,
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302 GroupName, GroupNumber, NaturalIsotopeData, MeltingPoint, MineralHardness, MolarVolume,
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303 MullikenJaffeElectronegativity, OriginOfName, PaulingElectronegativity, PeriodNumber, PoissonsRatio,
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304 Reflectivity, RefractiveIndex, RigidityModulus, SandersonElectronegativity, StandardState,
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305 SuperconductionTemperature, ThermalConductivity, VanderWaalsRadius, VelocityOfSound, VickersHardness,
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306 YoungsModulus.
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307 .IP "\fBGetElementPropertiesNames\fR" 4
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308 .IX Item "GetElementPropertiesNames"
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309 .Vb 2
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310 \& @PropertyNames = GetElementPropertiesNames([$Mode]);
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311 \& $PropertyNamesRef = GetElementPropertiesNames([$Mode]);
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312 .Ve
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313 .Sp
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314 Returns names of all available element properties. Optional mode parameter controls
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315 grouping of property names; Possible values: \fIByGroup or Alphabetical\fR. Default:
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316 \&\fIByGroup\fR.
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317 .IP "\fBGetElementPropertiesNamesAndUnits\fR" 4
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318 .IX Item "GetElementPropertiesNamesAndUnits"
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319 .Vb 1
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320 \& $NameUnitsHashRef = GetElementPropertiesNamesAndUnits();
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321 .Ve
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322 .Sp
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323 Returns a reference to a hash of property names and units of all available element
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324 properties. Names with no units contains empty strings.
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325 .IP "\fBGetElementPropertyUnits\fR" 4
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326 .IX Item "GetElementPropertyUnits"
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327 .Vb 1
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328 \& $Units = GetElementPropertyUnits($PropertyName);
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329 .Ve
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330 .Sp
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331 Returns units for a specific element property name. An empty string is returned for
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332 a property with no units.
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333 .IP "\fBGetIUPACGroupNumberFromAmericanStyleGroupLabel\fR" 4
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334 .IX Item "GetIUPACGroupNumberFromAmericanStyleGroupLabel"
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335 .Vb 2
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336 \& $GroupNumber = GetIUPACGroupNumberFromAmericanStyleGroupLabel(
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337 \& $GroupLabel);
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338 .Ve
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339 .Sp
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340 Returns \s-1IUPAC\s0 group numbers of a specific American style group label. A comma delimited
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341 string is returned for group \s-1VIII\s0 or \s-1VIIIB\s0.
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342 .IP "\fBGetIUPACGroupNumberFromEuropeanStyleGroupLabel\fR" 4
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343 .IX Item "GetIUPACGroupNumberFromEuropeanStyleGroupLabel"
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344 .Vb 2
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345 \& $GroupNumber = GetIUPACGroupNumberFromEuropeanStyleGroupLabel(
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346 \& $GroupLabel);
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347 .Ve
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348 .Sp
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349 Returns \s-1IUPAC\s0 group numbers of a specific European style group label. A comma delimited
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350 string is returned for group \s-1VIII\s0 or \s-1VIIIA\s0.
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351 .IP "\fBIsElement\fR" 4
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352 .IX Item "IsElement"
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353 .Vb 1
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354 \& $Status = IsElement($ElementID);
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355 .Ve
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356 .Sp
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357 Returns 1 or 0 based on whether it's a known element symbol or atomic number.
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358 .IP "\fBIsElementNaturalIsotopeMassNumber\fR" 4
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359 .IX Item "IsElementNaturalIsotopeMassNumber"
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360 .Vb 1
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361 \& $Status = IsElementNaturalIsotopeMassNumber($ElementID, $MassNumber);
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362 .Ve
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363 .Sp
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364 Returns 1 or 0 based on whether it's a valid mass number for an element symbol
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365 or atomic number.
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366 .IP "\fBIsElementProperty\fR" 4
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367 .IX Item "IsElementProperty"
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368 .Vb 1
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369 \& $Status = IsElementProperty($PropertyName);
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370 .Ve
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371 .Sp
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372 Returns 1 or 0 based on whether it's a valid property name.
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373 .SH "AUTHOR"
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374 .IX Header "AUTHOR"
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375 Manish Sud <msud@san.rr.com>
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376 .SH "SEE ALSO"
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377 .IX Header "SEE ALSO"
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378 AminoAcids.pm, NucleicAcids.pm
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379 .SH "COPYRIGHT"
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380 .IX Header "COPYRIGHT"
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381 Copyright (C) 2015 Manish Sud. All rights reserved.
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382 .PP
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383 This file is part of MayaChemTools.
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384 .PP
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385 MayaChemTools is free software; you can redistribute it and/or modify it under
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386 the terms of the \s-1GNU\s0 Lesser General Public License as published by the Free
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387 Software Foundation; either version 3 of the License, or (at your option)
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388 any later version.
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