Calculation of the nuclear Fukui function and new relations for nuclear softness and hardness kernels

1998 ◽  
Vol 108 (18) ◽  
pp. 7549-7554 ◽  
Author(s):  
Frank De Proft ◽  
Shubin Liu ◽  
Paul Geerlings
Keyword(s):  
Fukui Function ◽  
Nuclear Fukui Function

Nuclear Fukui function from coupled perturbed Hartree–Fock equations

2001 ◽  
Vol 114 (2) ◽  
pp. 682 ◽  
Author(s):  
Robert Balawender ◽  
Paul Geerlings
Keyword(s):  
Fukui Function ◽  
Hartree Fock ◽  
Nuclear Fukui Function

THE NUCLEAR FUKUI FUNCTION

2002 ◽  
pp. 1053-1070 ◽  
Author(s):  
P. Geerlings ◽  
F. De Proft ◽  
R. Balawender
Keyword(s):  
Fukui Function ◽  
Nuclear Fukui Function

Effect of aqueous environment in chemical reactivity of monolignols. A New Fukui Function Study

2009 ◽  
Vol 28 (2) ◽  
pp. 196-201 ◽  
Author(s):  
Carmen Martínez ◽  
Miriam Sedano ◽  
Jorge Mendoza ◽  
Rafael Herrera ◽  
Jose G. Rutiaga ◽  
...  
Keyword(s):  
Chemical Reactivity ◽  
Fukui Function ◽  
Aqueous Environment ◽  
Function Study
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