Molecular Volume Calculation
The definition of molecular volume depends on how we define the range of molecules. Usually we define the volume enclosed by the molecular van der Waals surface as the molecular volume, also known as the van der Waals volume of the molecule. The most commonly used van der Waals surface is the 0.001 electrons/ proposed by Bader. Bohr3 electron density constitutes the isosurface (in the gas phase).
