van der waal surface area for basic atoms

User 5a88369158

12-05-2010 02:14:46

Hi,


Is there a way to calculate the van Der Waals surface area for basic atoms using Chemaxon? The particular parameter is calculated in the attached paper (see page 3 of pdf file)


Thank you,


Yash Gandhi

ChemAxon e08c317633

17-05-2010 10:40:34

Atomic van Der Waals surface area increments are calculated by the Molecular Surface Area Plugin, so you can calculate these and sum them for the basic atoms.


I hope this helps.


Zsolt