C-H...O bonds

[auffinger]

Hi Xiang-Jun,

Is there a way to define H-bond criteria for C-H...O bonds ?
Does DSSR calculate them ?
Any other hints about how to set up h-bonds in DSSR ?

Best,

Pascal

[xiangjun]

There are provisions in DSSR for weak H-bonding interactions, but I take them as experimental. I will not get into the details until the fundamental parts of DSSR are done and written up.

Xiang-Jun