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Can the DFT-D method describe the full range of noncovalent interactions found in large biomolecules?

โœ Scribed by Morgado, Claudio ;Vincent, Mark A. ;Hillier, Ian H. ;Shan, Xiao


Book ID
125426467
Publisher
Royal Society of Chemistry
Year
2007
Tongue
English
Weight
111 KB
Volume
9
Category
Article
ISSN
1463-9076

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## Abstract Newly developed hybrid meta density functionals and density functionals augmented by a classical London dispersion term have been systematically applied for the description of stacking energy and intermolecular distance of thiophene dimer and substituted thiophene dimer. The performance