CCL: Method for Hydrogen Bonding
- From: Sanjay Bharathwaj <computationalchemist*gmail.com>
- Subject: CCL: Method for Hydrogen Bonding
- Date: Thu, 6 May 2010 11:46:55 -0400
Dear Friends,
Could you please let me know the
methods
either HF, DFT (if so which functional) that
helps
me to study the hydrogen bonded
interaction.
I find from literatures, that MP2/Lanl2dz
provides
the best.But i think it takes me long time for my system.
In this
regard, could you please let me know any other
methods
(computationally cheap) that help me to
solve the problem.
best regards,
Sanjay
--
Regards,
Dr. Sanjay Bharathwaj Kumar,
Dharmendra Institute of
Technology,
Andhra pradhesh,
India.