Vibrational study and force field of the citric acid dimer based on the SQM methodology

We have carried out a structural and vibrational theoretical study for the citric acid dimer. The Density Functional Theory (DFT) method with the B3LYP/6-31G() and B3LYP/6-311++ G methods have been used to study its structure and vibrational properties. Then, in order to get a good assignment of the...

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Autores principales: Brandán, Silvia Antonia, Bichara, Laura Cecilia, Lanús, Hernán Enrique, Ferrer, Evelina Gloria, Gramajo, Mónica Beatriz
Formato: Articulo
Lenguaje:Inglés
Publicado: 2011
Materias:
Ciencias Exactas
Chemistry
anhydrous citric
vibrational characterization
infrared spectroscopy
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/34153
http://www.hindawi.com/journals/apc/2011/347072/
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata

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