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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… Expand
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6 relations

Broader (1)

Computational chemistry
Density functional theoryDocking (molecular)ScigressSourav Pal
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Papers overview

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Highly Cited
2013
Highly Cited
2013
Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions
Building upon our recent studies devoted to the bonding changes in polar reactions [RSC Advances, 2012, 2, 1334 and Org. Biomol… Expand
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2012
2012
QUANTUM CHEMICAL INVESTIGATIONS ON QUINOLINE DERIVATIVES AS EFFECTIVE CORROSION INHIBITORS FOR MILD STEEL IN ACIDIC MEDIUM
The Density Functional Theory (DFT) and ab initio (HF and MP2) calculations were performed on the quinoline molecule (QL) and its… Expand
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2010
2010
The first pterosaur trackways from Japan
Abstract In 1990, five well-preserved pterosaur trackways were discovered in the Kitadani Formation (Lower Cretaceous) of the… Expand
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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… Expand
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2003
2003
Negative and Infinite Fukui Functions: The Role of Diagonal Dominance in the Hardness Matrix
The possible genesis of negative atom condensed Fukui functions is discussed based on hardness kernel matrix relationships. The… Expand
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2003
2003
Early Cretaceous vertebrate remains from Katsuyama City, Fukui Prefecture, Japan (Special Issue: Fauna and Flora of the Tetori Group and correlation with the Cretaceous sequences in Far-East Asia)
 
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Highly Cited
1998
Highly Cited
1998
A Theory of Selection and Reconstruction in the Minimalist Perspective
  • S. Oku
  • 1998
    • Corpus ID: 118082856
This study extends two ideas of the minimalist program in linguistic theory (Chomsky 1992, 1994, 1995a) (LF feature decomposition… Expand
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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… Expand
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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… Expand
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1981
1981
Occurrence of tetrodotoxin in the ivory shell Babylonia japonica from wakasa bay.
During the surveillance on paralytic shellfish toxins in Fukui Prefecture, the Japanese ivory shell Babylonia japonica collected… Expand
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