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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… 
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Related topics

Related topics

6 relations

Broader (1)

Computational chemistry
Density functional theoryDocking (molecular)ScigressSourav Pal

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2018
2018
Structure-Corrosion Inhibition Performance Relationship: Application to Some Natural Free Acids and Antioxidants
The inhibition of mild steel corrosion in a 1 M HCl solution by some natural free acids and antioxidants has been investigated by… 
Highly Cited
2017
Highly Cited
2017
High-threshold fault-tolerant quantum computation with analog quantum error correction
To implement fault-tolerant quantum computation with continuous variables, the Gottesman-Kitaev-Preskill (GKP) qubit has been… 
2017
2017
Theoretical and Experimental Studies of Adsorption Characteristics of Newly Synthesized Schiff Bases and their Evaluation as Corrosion Inhibitors for Mild Steel in 1 M HCl
A new class of Schiff base compounds viz., 4,4'-bis(2,4-dihydroxybenzaldeyde) diphenylethanediimine (L1) and 4,4’-bis(4… 
2017
2017
Modification of benzoxazole derivative by bromine-spectroscopic, antibacterial and reactivity study using experimental and theoretical procedures
2013
2013
Using conceptual density functional theory to rationalize regioselectivity: A case study on the nucleophilic ring-opening of activated aziridines
2011
2011
Fukui matrix : a simple approach to the analysis of the Fukui function and its positive character
Please check this proof carefully. Our staff will not read it in detail after you have returned it. Translation errors between… 
2010
2010
The first pterosaur trackways from Japan
Highly Cited
2005
Highly Cited
2005
Initial stage in lightning initiated from tall objects and in rocket-triggered lightning
We examine the characteristics of the initial stage (IS) in object-initiated lightning derived from current measurements on the… 
1990
1990
Paleomagnetic results and K-Ar dating on Miocene rocks in the northern part of Fukui Prefecture, Central Japan
K-Ar age determination and paleomagnetic measurement have been carried out on the Miocene rocks distributed in Fukui Prefecture… 
1985
1985
A new relationship between the Fukui coefficient and optimal current value for low-noise operation of field-effect transistors
In this letter, a new relationship is derived between the Fukui coefficient, appearing in the Fukui's equation, and the optimal… 
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