A DFT Assessment of Some Physical Properties of Iodine-Centered Halogen Bonding and Other Non-Covalent Interactions in Some Experimentally Reported Crystal Geometries

Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP01085D, PaperArpita Varadwaj, Pradeep Risikrishna Varadwaj, Helder Marques, Koichi Yamashita A set of six binary complexes that feature iodine-centered halogen bonding, extracted from structures deposited in the Cambridge Structure Database, has been examined computationally using density functional theory calculations with... The content of this RSS Feed (c) The Royal Society of Chemistry
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