@article{1c00e6b014bb4a8aa1576a6f674156dd,
title = "Decomposition of effective exchange integrals of radical dimers using bond energy density analysis",
abstract = "In this letter, effective exchange integrals of radical dimers obtained by density functional calculations are decomposed into atomic-pair components. The bond energy density analysis, which was originally proposed to evaluate the energy of a chemical bond, was found to be a useful tool to analyze the magnetic interaction of radical dimers.",
keywords = "Bond energy density analysis (bond-EDA), Effective exchange integral, Quantum chemical calculation",
author = "Yasuhiro Ikabata and Hiromi Nakai",
note = "Publisher Copyright: {\textcopyright} 2017 The Chemical Society of Japan.",
year = "2017",
doi = "10.1246/cl.170208",
language = "English",
volume = "46",
pages = "879--882",
journal = "Chemistry Letters",
issn = "0366-7022",
publisher = "Chemical Society of Japan",
number = "6",
}