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Gaussian 03を用いた分子軌道計算の実際

descriptionPublicationkeyboard_double_arrow_right Article Japanese Journal:Gaussian 03を用いた分子軌道計算の実際, volume 5, pages 65-68

handle: https://hdl.handle.net/2324/1472539

Gaussian 03を用いた分子軌道計算の実際

Abstract

現在の化学において分子軌道計算は重要な地位を占めるようになった．分子軌道計算を化学の"ツール"として使うユーザーとしての視点から、まずはその背景を概説し、そして九州大学の情報基盤センターに今回新しく導入された高性能演算サーバーで、どれぐらいの系がどれぐらいの時間で計算できるのか、限られた例ではあるが紹介したい． 1. 非経験的分子軌道計算への期待 2. 新高性能演算サーバー 3. ジョブ実行時間の比較 4. まとめ

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green