User 6c31933a46
25-09-2007 20:15:52
I am with a co-crystal where the molecules are hydrogen bonded,
so that I would like to know whether there is any way to indicate that, in
order to calculate the polarizability of this system.
User 851ac690a0
24-10-2007 10:30:33
Hi,
We can calculate the polarizability of a single molecule only. (see example below)
Principal components of the polarizability tensor and the avarage molecular polarizability calculated according to this reference:
Piet Th. van Duijnen.; Swart, M.: J.Phys.Chem. A, 1998, 102, 2399
Unfortunately we can not calculate the polarizability of a molecular system at this time. We will implement a method for calculating polarizability of molecular cluster in the near future.
Jozsi