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Fukui

Fukui K, Onishi H and Iwasawa Y 1997 Atom-resolved image of the 7102(110) surface by noncontact atomic force microscopy Phys. Rev. Lett. 79 4202... [Pg.1726]

Both of die above methods can be considered as approximations to the Fukui reaction path, discussed later in this article. The maxinmm of the Fukui reaction path also yields the transition state, although usually at significantly more expense than coordinate driving or the synclironous transit method. A more modem development of these ideas has been given by Ionova and Carter [68]. [Pg.2350]

The reaction path is defined by Fukui [83] as the line q(.s) leading down from a transition state along the steepest descent direction... [Pg.2353]

Fukui K 1970 A formulation of the reaction coordinate J. Phys. Chem. 74 4161... [Pg.2359]

Sugi M, Salto M, Fukui T and lizima S 1983 Effeot of dye oonoentration in Langmuir multilayer photooonduotors Thin Solid Films 99 17-20... [Pg.2630]

Fukui M, Katayama N, Ozaki Y, Araki T and Iriyama K 1991 Struotural oharaoterization of phthalooyanine Langmuir-Blodgett multilayer assemblies by FTIR speotrosoopy Chem. Phys. Lett. 177 247-51... [Pg.2632]

The way the substituents affect the rate of the reaction can be rationalised with the aid of the Frontier Molecular Orbital (FMO) theory. This theory was developed during a study of the role of orbital symmetry in pericyclic reactions by Woodward and Hoffinann and, independently, by Fukui Later, Houk contributed significantly to the understanding of the reactivity and selectivity of these processes. ... [Pg.4]

Frontier orbital analysis is a powerful theory that aids our understanding of a great number of organic reactions Its early development is attributed to Professor Kenichi Fukui of Kyoto University Japan The application of frontier orbital methods to Diels-Alder reactions represents one part of what organic chemists refer to as the Woodward-Hoffmann rules a beautifully simple analysis of organic reactions by Professor R B Woodward of Harvard University and Professor Roald Hoffmann of Cornell University Professors Fukui and Hoffmann were corecipients of the 1981 Nobel Prize m chemistry for their work... [Pg.415]

Woodward s death in 1979 prevented his being consid ered for a share of the 1981 prize with Fukui and Hoff mann Woodward had ear her won a Nobel Prize (1965) for his achievements in or game synthesis... [Pg.415]

K. Fukui, Acc. Chem. Res. 4 57 (1971) I. Fleming, Frontier Orbital and Organic Chemical Reactions, John Vfiiey St Sons, New Yodt, 1976 L. Salem, Electrons in Chemical Reactions, John Wil Sons, New Yoric, 1982, Chapter 6. [Pg.46]

K. Fukui (Kyoto) and R. Hoffmann (Cornell) quantum mechanical studies of chemical reactivity. [Pg.1299]

A reaction will in general involve a change in the electron density, which may be quantified in terms of the Fukui function. ... [Pg.352]

The Fukui function indicates the change in the electron density at a given position when the number of electrons is changed. We may define two finite difference versions of the function, corresponding to addition or removal of an electron. [Pg.352]


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Chemical reactivity Fukui functions

Condensed Fukui function

Density functional theory Fukui function

Electronic density Fukui function

Formaldehyde Fukui functions

Fukui Functions and Atomic Charges

Fukui Kenichi

Fukui bond function

Fukui electron density indices

Fukui function

Fukui function Kohn-Sham potential

Fukui function computing methods

Fukui function descriptors of Hirshfeld reactants

Fukui function electron density

Fukui function electronic

Fukui function electrophilic attack

Fukui function finite difference approximations

Fukui function finite difference method

Fukui function ground-state density

Fukui function hardness

Fukui function isolated system

Fukui function local reactivity index

Fukui function nomenclature

Fukui function propylene

Fukui function reactivity descriptor

Fukui function regioselectivity indicators

Fukui function theorems

Fukui function tools

Fukui function types

Fukui function, nuclear

Fukui indices

Fukui theorem

Geometric Fukui function

Group nucleophilic Fukui function

Klopman-Salem -Fukui relationship

Kohn-Sham Fukui functions

Partitioning of the Fukui Function Indices

Topological Analysis of the Fukui Function

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