Calculate Double Bond Equivalents

Share:

Description

Calculates the Ring and Double Bond Equivalents for a chemical formula. The highest valence state of each atom is used, such that the returned DBE should never be below 0.

Usage

1

Arguments

formula

A molecular formula in text or list representation (e.g. "C6H12O6" or list(C=6, H=12, O=6) ).

Value

Returns the DBE for the given formula.

Author(s)

Michael Stravs

Examples

1
2
#
	dbe("C6H12O6")

Want to suggest features or report bugs for rdrr.io? Use the GitHub issue tracker.