Periodic Table of the Elements
This data set gives various information on chemical elements.
elements
A data frame containing for each chemical element the following information.
numatomic number
symbelemental symbol
arenegAllred and Rochow electronegativity (0.0 if unknown)
rcovcovalent radii (in Angstrom) (1.6 if unknown)
rbo"bond order" radii
rvdwvan der Waals radii (in Angstrom) (2.0 if unknown)
maxbndmaximum bond valence (6 if unknown)
massIUPAC recommended atomic masses (in amu)
elnegPauling electronegativity (0.0 if unknown)
ionizationionization potential (in eV) (0.0 if unknown)
elaffinityelectron affinity (in eV) (0.0 if unknown)
redred value for visualization
greengreen value for visualization
blueblue value for visualization
nameelement name
Open Babel (2.3.1) file: element.txt
Created from the Blue Obelisk Cheminformatics Data Repository
Direct Source: http://www.blueobelisk.org/
http://www.blueobelisk.org/repos/blueobelisk/elements.xml includes furhter bibliographic citation information
- Allred and Rochow Electronegativity from http://www.hull.ac.uk/chemistry/electroneg.php?type=Allred-Rochow
- Covalent radii from http://dx.doi.org/10.1039/b801115j
- Van der Waals radii from http://dx.doi.org/10.1021/jp8111556
data(elements)
elements
# Get the mass of some elements
symb <- c("C","O","H")
elements[match(symb,elements[,"symb"]),"mass"]
# Get the van der Waals radii of some elements
symb <- c("C","O","H")
elements[match(symb,elements[,"symb"]),"rvdw"]Please choose more modern alternatives, such as Google Chrome or Mozilla Firefox.