scholarly journals Monitoring the Interaction of CO with Graphene Supported Ir Clusters by Vibrational Spectroscopy and Density Functional Theory Calculations

2018 ◽  
Vol 122 (8) ◽  
pp. 4281-4289 ◽  
Author(s):  
Heshmat Noei ◽  
Dirk Franz ◽  
Marcus Creutzburg ◽  
Patrick Müller ◽  
Konstantin Krausert ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Vibrational Spectroscopy ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Functional Theory

Hydrogen bonding in amylose/DMSO complexes studied by vibrational spectroscopy and density functional theory calculations

2009 ◽  
Vol 40 (9) ◽  
pp. 1110-1116 ◽  
Author(s):  
Alberto Milani ◽  
Nur Aiman Fadel ◽  
Luigi Brambilla ◽  
Mirella Del Zoppo ◽  
Chiara Castiglioni ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bonding ◽  
Vibrational Spectroscopy ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Functional Theory

scholarly journals Edge chlorination of hexa-peri-hexabenzocoronene investigated by density functional theory and vibrational spectroscopy

2016 ◽  
Vol 18 (17) ◽  
pp. 11869-11878 ◽  
Author(s):  
Ali Maghsoumi ◽  
Akimitsu Narita ◽  
Renhao Dong ◽  
Xinliang Feng ◽  
Chiara Castiglioni ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Density Functional Theory ◽  
Vibrational Spectroscopy ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Vibrational Properties ◽  
Functional Theory

The molecular structure and vibrational properties of perchlorinated HBC and the parent HBC have been investigated by density functional theory calculations and vibrational spectroscopy.

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