Experimental and Theoretical Study of Halogen-Bonded Complexes of DMAP with Di- and Triiodofluorobenzenes. A Complex with a Very Short N···I Halogen Bond

2010 ◽  
Vol 10 (8) ◽  
pp. 3710-3720 ◽  
Author(s):  
Laila C. Roper ◽  
Carsten Präsang ◽  
Valery N. Kozhevnikov ◽  
Adrian C. Whitwood ◽  
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Theoretical Study ◽  
Halogen Bond ◽  
Bonded Complexes

Theoretical study of hydrogen bonding interactions in substituted nitroxide radicals

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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 ◽  
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Keyword(s):  
Hydrogen Fluoride ◽  
Theoretical Study ◽  
Bonded Complexes ◽  
Hydrogen Bonded

S⋯N chalcogen bonded complexes of carbon disulfide with diazines. Theoretical study

2018 ◽  
Vol 500 ◽  
pp. 37-44 ◽  
Author(s):  
Wiktor Zierkiewicz ◽  
Jindřich Fanfrlík ◽  
Mariusz Michalczyk ◽  
Danuta Michalska ◽  
Pavel Hobza
Keyword(s):  
Carbon Disulfide ◽  
Theoretical Study ◽  
Bonded Complexes
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