Results 241 to 250 of about 87,609 (269)

Theoretical Determination of a Reaction Intermediate: Fukui Function Analysis, Dual Reactivity Descriptor and Activation Energy

Journal of Molecular Structure, 2021
Klaus Bieger, Américo Cuchillo
exaly  

fukui silk

2021
openaire   +1 more source

Kenichi Fukui, Frontier Molecular Orbital Theory, and the Woodward-Hoffmann Rules. Part II. A Sleeping Beauty in Chemistry

Chemical Record, 2022
Jeffrey I. Seeman
exaly  

On the analysis of the Fukui function

2023
P. Fuentealba, C. Cárdenas
openaire   +1 more source

fukui habutai

2021
openaire   +1 more source

Kenichi Fukui, Frontier Molecular Orbital Theory, and the Woodward-Hoffmann Rules. Part I. the Person

Chemical Record, 2022
Jeffrey I. Seeman
exaly  

Connection Between Nuclear and Electronic Fukui Functions Beyond Frontier Molecular Orbitals

Journal of Chemical Physics, 2023
Pablo Jaque, Javier Oller
exaly  

Why Is the Dual Descriptor a More Accurate Local Reactivity Descriptor Than Fukui Functions?

Journal of Mathematical Chemistry, 2015
Jorge Ignacio Martínez-Araya
exaly  

Critical Thoughts on Computing Atom Condensed Fukui Functions

Journal of Chemical Physics, 2007
Ramon Carbó-Dorca i Carré, Stijn Fias, Paul W. Ayers   +2 more
exaly  

Topological Analysis of the Fukui Function

Challenges and Advances in Computational Chemistry and Physics, 2016
Carlos Cárdenas, Patricio Fuentealba, William Tiznado   +2 more
exaly