Theoretical Study on the Structures and Properties of Hydrogen Bonding Complexes between Diazines and Water

2006 ◽  
Vol 24 (12) ◽  
pp. 1700-1703 ◽  
Author(s):  
Quan Li ◽  
Fang-Qian Huang ◽  
Jing-Dan Hu ◽  
Ke-Qing Zhao
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Study ◽  
Structures And Properties

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 ◽  
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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 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 ◽  
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ChemInform Abstract: A THEORETICAL STUDY OF HYDROGEN BONDING IN MALONALDEHYDE

1979 ◽  
Vol 10 (4) ◽  
Author(s):  
J. CATALAN ◽  
M. YANEZ ◽  
J. I. FERNANDEZ-ALONSO
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Study

Theoretical Study of Hydrogen Bonding Interaction of 1:1 Dimer of HNO with HArF

2007 ◽  
Vol 20 (1) ◽  
pp. 37-42 ◽  
Author(s):  
Ying Liu ◽  
Wen-qing Liu ◽  
Hai-yang Li ◽  
Yong Yang ◽  
Shuang Cheng
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Study ◽  
Hydrogen Bonding Interaction ◽  
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