Computational studies of molecular hydrogen binding affinities: the role of dispersion forces, electrostatics, and orbital interactions.
作者： Rohini C. Lochan , Martin Head-Gordon
DOI: 10.1039/B515409J
关键词: Hydrogen storage 、 Binding affinities 、 Electrostatics 、 Computational chemistry 、 London dispersion force 、 Hydrogen molecule 、 Context (language use) 、 Dispersion (chemistry) 、 Intermolecular force 、 Chemistry
摘要: … hydrogen storage methods include compression and liquefaction of H 2 . However, efficiency, safety and … The importance of electrostatic effects in strengthening the molecular hydrogen …
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