Hydrogen-bonded complexes between dimethyl sulfoxide and monoprotic acids: molecular properties and IR spectroscopy

2014 ◽  
Vol 20 (11) ◽  
Author(s):  
Márcia K. D. L. Belarmino ◽  
Vanessa F. Cruz ◽  
Nathália B. D. Lima
Keyword(s):  
Ir Spectroscopy ◽  
Dimethyl Sulfoxide ◽  
Molecular Properties ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Theoretical calculations of the substituent effect on molecular properties of the RCN⋯HF hydrogen-bonded complexes with R=NH2, CH3O, CH3, OH, SH, H, Cl, F, CF3, CN and NO2

2009 ◽  
Vol 49 (2) ◽  
pp. 133-141 ◽  
Author(s):  
Tarsila G. Castro ◽  
Regiane C.M.U. Araújo ◽  
Claudia F. Braga ◽  
Liana S. Silva ◽  
Arquimedes M. Pereira ◽  
...  
Keyword(s):  
Substituent Effect ◽  
Theoretical Calculations ◽  
Molecular Properties ◽  
Bonded Complexes ◽  
Hydrogen Bonded

The molecular properties of heterocyclic and homocyclic hydrogen-bonded complexes evaluated by DFT calculations and AIM densities

2008 ◽  
Vol 15 (2) ◽  
pp. 123-131 ◽  
Author(s):  
Boaz G. Oliveira ◽  
Regiane C. M. U. Araújo ◽  
Antônio B. Carvalho ◽  
Mozart N. Ramos
Keyword(s):  
Dft Calculations ◽  
Molecular Properties ◽  
Bonded Complexes ◽  
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).

Hydrogen‐Bonded Complexes of Star Polymers

2021 ◽  
pp. 2100097
Author(s):  
Aliaksei Aliakseyeu ◽  
Elena E. Dormidontova ◽  
Svetlana A. Sukhishvili
Keyword(s):  
Star Polymers ◽  
Bonded Complexes ◽  
Hydrogen Bonded
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