AN AB INITIO MOLECULAR ORBITAL STUDY ON THE STRUCTURE AND SPECTROSCOPIC PROPERTIES OF MAGNESIUM DICARBIDE
Sachiko S. Itono, Keiko Takano, Tsuneo Hirano, Umpei Nagashima, Eriko Kagi, Kenichi Kawaguchi
Abstract
Sachiko S. Itono, Keiko Takano, Tsuneo Hirano, Umpei Nagashima, Eriko Kagi, Kenichi Kawaguchi
Abstract
Author Institution: Department of Chemistry, Faculty of Science, Ochanomizu University; National Institute of Materials and Chemical Research, 1-1 Higashi; Hiroshima City University, 3-4-1 Ozukahigashi; Nobeyama Radio Obverservatory, Minamimaki
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Author Institution: Department of Chemistry, Faculty of Science, Ochanomizu University; National Institute of Materials and Chemical Research, 1-1 Higashi; Hiroshima City University, 3-4-1 Ozukahigashi; Nobeyama Radio Obverservatory, Minamimaki
Key concepts: Ab initio, Magnesium, Crystallography, Molecular orbital, Chemistry, Computational chemistry, Physics, Materials science