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Updated: Jul 9, 2026

Scattering And Absorption of Light in Planetary Regoliths
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Scattering And Absorption of Light in Planetary Regoliths

Published on: July 1, 2019

ER-BOCは,最小のクラスターモデルから結晶の塊質の性質を計算した

Yun Hang Hu1

  • 1Corporate Strategic Research, ExxonMobil Research and Engineering Company, 1545 Route 22 East, Annandale, New Jersey 08801-0998, USA. yhu@buffalo.edu

Journal of the American Chemical Society
|April 3, 2003
PubMed
まとめ

結晶の性質を正確に予測するのは難しい. この研究では,密度関数理論 (DFT) と全域結合順序保存 (ER-BOC) を用いた新しい方法が導入され,小クラスターの計算を簡素化し,それらを大量結晶の性質と相関させます.

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