bio3d (version 2.1-2)

elements: Periodic Table of the Elements

Description

This data set gives various information on chemical elements.

Usage

elements

source

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

Examples

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"]