publication . Article . Preprint . 2016

Steric effects of CO2 binding to transition metal-benzene complexes: A first-principles study

Hoonkyung Lee; Bing Huang; Hyeonhu Bae;
Open Access
  • Published: 02 Jun 2016 Journal: Current Applied Physics, volume 16, pages 1,124-1,129 (issn: 1567-1739, Copyright policy)
  • Publisher: Elsevier BV
Abstract
Comment: 17 pages, 4 figures, 1 table
doi: 10.1016/j.cap.2016.06.021
Subjects
free text keywords: Physics - Chemical Physics, Adsorption, Computational chemistry, Steric effects, Physical chemistry, Transition metal, Atom, Bond length, Molecule, Ligand cone angle, Density functional theory, Chemistry
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