Noncovalent Interactions: A Challenge for Experiment and Theory
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTNoncovalent Interactions: A Challenge for Experiment and TheoryKlaus Müller-Dethlefs and Pavel HobzaView Author Information Departmen...
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2 shownDensity functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with <i>ab initio</i> quantum mechanics calculations
Abstract Standard density functional theory (DFT) is augmented with a damped empirical dispersion term. The damping function is optimized on a small, well balanced set of 22 van...
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Researcher Info
- h-index
- 2
- Publications
- 2
- Citations
- 2,374
- Institution
- Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry
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- ORCID
- 0000-0001-5292-6719
Impact Metrics
h-index
2
h-index: Number of publications with at least h citations each.