dipole alignment

User 50d9b7e569

11-12-2014 14:53:49


is there any smart way (not by eye) to position two molecules in such a way that their dipoles are parallel?

ChemAxon d51151248d

12-12-2014 09:44:40

Hi Piotr, 

we don't have such a method. We can however calculate dipole moment vectors. Just a hint: having the dipole moment vectors of the two molecule you have to find the rotational matrix that rotates the first dipole vector parallel to the second.