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Updated: Jul 11, 2026

Fabrication and Operation of a Nano-Optical Conveyor Belt
11:10

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Published on: August 26, 2015

陽子シールドに対するゼロポイントの振動効果:ab initio計算による機能群の貢献

K Ruud1, P O Astrand, P R Taylor

  • 1San Diego Supercomputer Center and Department of Chemistry and Biochemistry, University of California, San Diego, 9500 Gilman Drive MC0505, La Jolla, California 92093-0505, USA.

Journal of the American Chemical Society
|July 18, 2001
PubMed
まとめ

ゼロポイントの振動運動は,有機分子における核磁気シールド定数に大きな影響を与える. これらの振動修正は,正確な化学シフト計算に不可欠であり,水素原子に変換可能である.

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