Molecular Electrostatic Potential as a Predictor of Supramolecular Synthons in Non-Hydrogen-Bonded Systems: Application to Heavier p-Block Systems

2018 ◽  
Vol 2018 (31) ◽  
pp. 3554-3564 ◽  
Author(s):  
Delia A. Haynes ◽  
Jeremy M. Rawson
Keyword(s):  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Supramolecular Synthons ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded

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).

Solvation effects on the thermodynamics of hydrogen bonded systems. 3

1977 ◽  
Vol 81 (24) ◽  
pp. 2237-2240 ◽  
Author(s):  
J. N. Spencer ◽  
Judy R. Sweigart ◽  
Michael E. Brown ◽  
Ronald L. Bensing ◽  
Thomas L. Hassinger ◽  
...  
Keyword(s):  
Solvation Effects ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded
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