Theoretical Study of Hydrogen Bonding in Homodimers and Heterodimers of Amide, Boronic Acid, and Carboxylic Acid, Free and in Encapsulation Complexes

2011 ◽  
Vol 133 (42) ◽  
pp. 16977-16985 ◽  
Author(s):  
Demeter Tzeli ◽  
Giannoula Theodorakopoulos ◽  
Ioannis D. Petsalakis ◽  
Dariush Ajami ◽  
Julius Rebek
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Boronic Acid ◽  
Theoretical Study

Theoretical study of intramolecular hydrogen bonding and molecular geometry of 2-trifluoromethylphenol

10.1002/jcc.2 ◽  
1996 ◽  
Vol 17 (16) ◽  
pp. 1804-1819 ◽  
Author(s):  
Attila Kov�cs ◽  
Istv�n Kolossv�ry ◽  
G�bor I. Csonka ◽  
Istv�n Hargittai
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Study ◽  
Molecular Geometry ◽  
Intramolecular Hydrogen Bonding ◽  
Intramolecular Hydrogen

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).

Enantioselective fluorescent sensing of chiral carboxylic acid by engaging boronic acid and BINOL

2017 ◽  
Vol 244 ◽  
pp. 175-181 ◽  
Author(s):  
Sathish Kumar Munusamy ◽  
Krishnan Thirumoorthy ◽  
Vivek Panyam Muralidharan ◽  
Umamahesh Balijapalli ◽  
Sathiyanarayanan Kulathu Iyer
Keyword(s):  
Carboxylic Acid ◽  
Boronic Acid ◽  
Fluorescent Sensing

Theoretical Study of the Inter-ionic Hydrogen Bonding in the GZT Molecular System

2003 ◽  
Vol 50 (3B) ◽  
pp. 765-775 ◽  
Author(s):  
Cheng Chen ◽  
Min-Hsien Liu ◽  
Sou-Ro Cheng ◽  
Lung-Shing Wu
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Study ◽  
Molecular System ◽  
Ionic Hydrogen Bonding
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