Charge Transfer complexes

User 90e8abb5d9

22-01-2017 09:53:52

Hi,


I would like to know if it is possible to draw or represent a charge transfer complex between Two organic molecules.


Also would it be possible to run a molecular dynamics simulation of the Charge transfer complex.


 


Thanks 

ChemAxon 5693b0ec15

23-01-2017 10:06:34

Hello,


you can use graphical arrow and textbox to represent the transfer. Both tools can be find on the Tool toolbar on the left side.


Unfortunately our MMFF94 calculation (Calculation > Conformation > Molecular Dynamics) does not support charge transfer complexes.


Best regards,


Nikolett Mihala