• 追加された行はこのように表示されます。
  • 削除された行はこのように表示されます。
{{category analysis}}
{{category water}}
This page serves supplemental information on my paper, "Relevance of Hydrogen Bond Definition in Liquid Water", *M. Matsumoto, J. Chem. Phys. 126, 054503 (2007). [[DOI:10.1063/1.2431168]], in which I discussed why water is regarded to be a network material while other (simple) materials are not, and proposed a consecutive way of tuning the thresholds.
This page serves supplemental information on my paper, "Relevance of Hydrogen Bond Definition in Liquid Water", *M. Matsumoto, J. Chem. Phys. 126, 054503 (2007). [[DOI:10.1063/1.2431168]], in which I discussed why water is regarded as a network material while other (simple) materials are not, and proposed a consecutive way of tuning the thresholds.

!!Evaluation of Hydrogen Bonds
In this section, error magnitude is evaluated for new hydrogen bond definitions proposed after my paper was published.
!Definition by Hammerich
:Reference:A.D.Hammerich and V.Buch, J. Chem. Phys. 128,111101 (2008).
*I(error)=0.255 at 236K with TIP4P/2005.
*I(error)=0.597 at 276K with TIP4P/2005.
Their definition is simple. Ambiguity is eliminated because there is no control parameter (threshold) for determining the bonds. Error magnitude is small, but is not minimal compared with the simple criterion by intermolecular OH distance.
//{{comment}}
{{timestamp 1229705431}}

メニュー

岡山大学

関連ページ

<< 2021-1 >>
1 2
3 4 5 6 7 8 9
10 11 12 13 14 15 16
17 18 19 20 21 22 23
24 25 26 27 28 29 30
31

検索

キーワード

class

gallery

research

water

analysis

fractal noise

risk

lifehack

雑記

survey

software

links

あしあと



最新

2019/8/29

2019/5/28

2019/5/13

2018/12/9

2018/10/11

Add