Skip to search formSkip to main contentSkip to account menu

Fukui function

In computational chemistry, the Fukui function or frontier function is a function that describes the electron density in a frontier orbital, as a… 
Wikipedia (opens in a new tab)

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2014
2014
In this work we have performed a QSAR study of atmospheric reactions with hydroxyl radical, at the B3LYP level of theory with 6… 
2011
2011
In the present work we calculated reactivity descriptors for atrazine at MP2/6-311++G(2d,2p)//B3LYP/6-311++G(2d,2p) level in… 
2008
2008
The distribution of sulfate-reducing bacteria (SRB) was investigated in the sediments below fish cages used for torafugu… 
1998
1998
An antagonistic bacterium against Phytophthora capsici, the pathogen of damping-off of cucumber, was isolated from the… 
1997
1997
Formulas governing fixed orbital hardnesses and their relation to the hardness kernel are derived. It is shown how the orbital… 
1990
1990
K-Ar age determination and paleomagnetic measurement have been carried out on the Miocene rocks distributed in Fukui Prefecture… 
1985
1985
In this letter, a new relationship is derived between the Fukui coefficient, appearing in the Fukui's equation, and the optimal… 
1981
1981
During the surveillance on paralytic shellfish toxins in Fukui Prefecture, the Japanese ivory shell Babylonia japonica collected…