Institution
- Name: Department Pharmazie, Zentrum für Pharmaforschung, Prof. Frank Böckler, Institut Chemie und Pharmazie, LMU München
- Address: Butenandtstr. 7, 81377 München
- Project Proposal Date: 2009-07-07
Abstract:
In order to parameterize force fields towards handling halogen bond interactions, we will carry out DFT and MP2 calculations using the program package TURBOMOLE.