Results 251 to 260 of about 87,609 (269)

Atom and Bond Fukui Functions and Matrices: A Hirshfeld-I Atoms-in-Molecule Approach

ChemPhysChem, 2016
Diego R. Alcoba, Dimitri Van Neck, Ofelia Ona   +2 more
exaly  

In Pursuit of Negative Fukui Functions: Molecules With Very Small Band Gaps

Journal of Molecular Modeling, 2014
James S M Anderson, Alejandro Toro-Labbe, Carlos Cárdenas   +2 more
exaly  

Negative and Infinite Fukui Functions: The Role of Diagonal Dominance in the Hardness Matrix

Journal of Mathematical Chemistry, 2003
Ramon Carbó-Dorca i Carré, Patrick Bultinck   +1 more
exaly  

Comments on a Letter by Fukui

The Journal of Chemical Physics, 1959
S. S. Sung, O. Chalvet, R. Daudel
openaire   +1 more source

Computing Fukui Functions Without Differentiating With Respect to Electron Number. II. Calculation of Condensed Molecular Fukui Functions

Journal of Chemical Physics, 2007
Paul Geerlings, Paul W. Ayers, Frank De Proft   +2 more
exaly  

KENICHI FUKUI

2000
openaire   +1 more source

Analytical Fukui and Cyclic Voltammetric Studies on Ferrocene Modified Carbon Electrodes and Effect of Triton X-100 by Immobilization Method

Electrochimica Acta, 2017
Roberto Flores-Moreno, Gururaj Kudur Jayaprakash, Norberto Casillas   +2 more
exaly  

Fukui, Ryonosuke

2011
openaire   +1 more source

Chemical Reactivity and Selectivity Using Fukui Functions: Basis Set and Population Scheme Dependence in the Framework of B3LYP Theory

Theoretical Chemistry Accounts, 2002
Venkatesan Subramanian, P Thanikaivelan, J Padmanabhan   +2 more
exaly  

1981—Fukui and Hoffmann

2023
openaire   +1 more source