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First-Principles Modeling of Non-Covalent Interactions in Supramolecular Systems: The Role of Many-Body Effects

Tkatchenko, A; Alfe, D; Kim, KS; (2012) First-Principles Modeling of Non-Covalent Interactions in Supramolecular Systems: The Role of Many-Body Effects. JOURNAL OF CHEMICAL THEORY AND COMPUTATION , 8 (11) pp. 4317-4322. 10.1021/ct300711r.

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Type: Article
Title: First-Principles Modeling of Non-Covalent Interactions in Supramolecular Systems: The Role of Many-Body Effects
DOI: 10.1021/ct300711r
Keywords: Science & Technology, Physical Sciences, Chemistry, Physical, Physics, Atomic, Molecular & Chemical, Chemistry, Physics, DENSITY-FUNCTIONAL THEORY, DER-WAALS INTERACTIONS, HARTREE-FOCK PSEUDOPOTENTIALS, QUANTUM MONTE-CARLO, DISPERSION FORCES, INCLUSION COMPLEXES, BUCKYCATCHER
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Earth Sciences
URI: http://discovery.ucl.ac.uk/id/eprint/1380664
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