A Molecular Electrostatic Potential Bond Critical Point Model for Atomic and Group Electronegativities

2002 ◽  
Vol 124 (8) ◽  
pp. 1790-1797 ◽  
Author(s):  
Cherumuttathu H. Suresh ◽  
Nobuaki Koga
Keyword(s):  
Critical Point ◽  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Bond Critical Point ◽  
Point Model

Group electronegativities from the bond critical point model

1992 ◽  
Vol 114 (5) ◽  
pp. 1652-1655 ◽  
Author(s):  
Russell J. Boyd ◽  
Susan L. Boyd
Keyword(s):  
Critical Point ◽  
Bond Critical Point ◽  
Point Model

Theoretical study of hydrogen bonding interactions in substituted nitroxide radicals

2021 ◽  
Author(s):  
Thufail M. Ismail ◽  
Neetha Mohan ◽  
P. K. Sajith
Keyword(s):  
Hydrogen Bonding ◽  
Interaction Energy ◽  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Theoretical Study ◽  
Nitroxide Radicals ◽  
Hydrogen Bonding Interactions ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Interaction energy (Eint) of hydrogen bonded complexes of nitroxide radicals can be assessed in terms of the deepest minimum of molecular electrostatic potential (Vmin).

Electronegativity and Bader's bond critical point

1992 ◽  
Vol 13 (7) ◽  
pp. 912-918 ◽  
Author(s):  
Sanchita Hati ◽  
Dipankar Datta
Keyword(s):  
Critical Point ◽  
Bond Critical Point
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