get_molec_props

get_molec_props

Usage

get_molec_props(molecule)

Arguments

molecule

A character vector with one molecule

Value

A dataframe with various atomic properties of the elements in the molecule

Examples

get_molec_props('CH4')
#>   Symbol  Element AtomicNumber AtomicMass   Density AtomicRadius       Config
#> 1      C   Carbon            6     12.011 2.267e+00           67 [He] 2s2 2p2
#> 2      H Hydrogen            1      1.008 8.988e-05           53          1s1
#>   ShellConfig             OxiStates
#> 1    2,4,,,,, -4,-3,-2,-1,0,1,2,3,4
#> 2     1,,,,,,                     1