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Publication Detail
Predicting noncovalent interactions between aromatic biomolecules with London-dispersion-corrected DFT
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Publication Type:Journal article
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Publication Sub Type:Article
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Authors:Lin I-C, von Lilienfeld OA, Coutinho-Neto MD, Tavernelli I, Rothlisberger U
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Publisher:AMER CHEMICAL SOC
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Publication date:27/12/2007
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Pagination:14346, 14354
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Journal:JOURNAL OF PHYSICAL CHEMISTRY B
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Volume:111
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Issue:51
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Status:Published
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Print ISSN:1520-6106
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Language:English
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Keywords:Science & Technology, Physical Sciences, Chemistry, Physical, Chemistry, DENSITY-FUNCTIONAL-THEORY, DNA-BASE PAIRS, ANTICANCER AGENT ELLIPTICINE, LIMIT INTERACTION ENERGIES, NONEMPIRICAL AB-INITIO, DER-WAALS INTERACTIONS, INTERMOLECULAR INTERACTIONS, THERMOCHEMICAL KINETICS, STACKING INTERACTIONS, MOLECULAR-STRUCTURE
Abstract
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