_tcm18-11426.gif )
High quality research in physical chemistry, chemical physics and biophysical chemistry.
Subscribers
Non-subscribers
- Purchase article PDF [£27 + taxes]
- Purchase article PDF member offer [£5 + taxes]
Free access
Paper
Phys. Chem. Chem. Phys., 2007, 9, 448 - 451, DOI: 10.1039/b615263e
Can the DFT-D method describe the full range of noncovalent interactions found in large biomolecules?
Claudio Morgado, Mark A. Vincent, Ian H. Hillier and Xiao Shan
The DFT-D method is shown to yield interaction energies between biologically important groups to an accuracy comparable to that obtained using state-of-the-art ab initio methods.
RSS feed