Vibrational spectroscopy and density functional theory calculations of poly-D -mannuronate and heteropolymeric fractions from sodium alginate

2011 ◽  
Vol 42 (4) ◽  
pp. 870-878 ◽  
Author(s):  
G. Cardenas-Jiron ◽  
D. Leal ◽  
B. Matsuhiro ◽  
I. O. Osorio-Roman
Keyword(s):  
Density Functional Theory ◽  
Sodium Alginate ◽  
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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