Results 271 to 278 of about 10,690,430 (278)

Analytical Fukui and cyclic voltammetric studies on ferrocene modified carbon electrodes and effect of Triton X-100 by immobilization method

Electrochimica Acta, 2017
Gururaj Kudur Jayaprakash, B E Kumara Swamy, Norberto Casillas   +2 more
exaly  

How to Compute the Fukui Matrix and Function for Systems with (Quasi-)Degenerate States

Journal of Chemical Theory and Computation, 2014
Patrick Bultinck, Carlos Cardenas, Paul Andrew Johnson   +2 more
exaly  

The density response kernel, the Fukui function, and other response functions from the Kohn–Sham orbitals

Theoretical Chemistry accounts, 2019
A. Cedillo
semanticscholar   +1 more source

Biological action of molecular adduct pyrazole:trichloroacetic acid on Candida albicans and ctDNA - A combined experimental, Fukui functions calculation and molecular docking analysis

Journal of Molecular Structure, 2019
MDhandapani
exaly  

Local reactivity through fukui function on endohedral mono-metallofullerenes

Physica. E, Low-Dimensional systems and nanostructures, 2019
J. Rodriguez-Zavala
semanticscholar   +1 more source

Fukui Function and Local Softness as Reactivity Descriptors

2009
Asit Chandra, Minh Tho Nguyen
openaire   +2 more sources

Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron density

Journal of Computational Chemistry, 2002
exaly  

Nuclear Fukui Function from coupled perturbed HF equations

2001
Balawender, Robert, Geerlings, Paul
openaire   +1 more source