Theoretical Study of the Ionization of Phenol−Water and Phenol−Ammonia Hydrogen-Bonded Complexes

1997 ◽  
Vol 101 (48) ◽  
pp. 9142-9151 ◽  
Author(s):  
Mariona Sodupe ◽  
Antonio Oliva ◽  
Juan Bertrán
Keyword(s):  
Theoretical Study ◽  
Phenol Water ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Theoretical study of hydrogen bonding interactions in substituted nitroxide radicals

2021 ◽  
Author(s):  
Thufail M. Ismail ◽  
Neetha Mohan ◽  
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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).

Theoretical study on the polarizability and hyperpolarizability of hydrogen bonded complexes of nitropyridines with hydrogen fluoride

2009 ◽  
Vol 916 (1-3) ◽  
pp. 72-75 ◽  
Author(s):  
Przemysław Dopieralski ◽  
Jarosław Panek ◽  
Krzysztof Mierzwicki ◽  
Zdzisław Latajka ◽  
Henryk Ratajczak ◽  
...  
Keyword(s):  
Hydrogen Fluoride ◽  
Theoretical Study ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Multiple Hydrogen-Bonded Complexes Based on 2-Ureido-4[1H]-pyrimidinone: A Theoretical Study

2011 ◽  
Vol 115 (38) ◽  
pp. 11053-11062 ◽  
Author(s):  
Hao Sun ◽  
Hui Hui Lee ◽  
Idriss Blakey ◽  
Bronwin Dargaville ◽  
Traian V. Chirila ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Bonded Complexes ◽  
Hydrogen Bonded
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