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Ab initio study of magnetic interactions of manganese-oxide clusters

✍ Scribed by Keita Kanda; Shusuke Yamanaka; Tohru Saito; Takashi Kawakami; Yasutaka Kitagawa; Mitsutaka Okumura; Haruki Nakamura; Kizashi Yamaguchi


Book ID
113856540
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
653 KB
Volume
30
Category
Article
ISSN
0277-5387

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