Hydrogen-bonding interactions in acetic acid monohydrates and dihydrates by density-functional theory calculations

2005 ◽  
Vol 123 (7) ◽  
pp. 074325 ◽  
Author(s):  
Q. Gao ◽  
K. T. Leung
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bonding ◽  
Acetic Acid ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Hydrogen Bonding Interactions

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
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