The Indigo Molecule Revisited Again : Assessment of the Minnesota Family of Density Functionals for the Prediction of Its Maximum Absorption Wavelengths in Various Solvents
Joint Authors
Glossman-Mitnik, Daniel
Cervantes-Navarro, Francisco
Source
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-4, 4 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2012-06-20
Country of Publication
Egypt
No. of Pages
4
Main Subjects
Abstract EN
The Minnesota family of density functionals (M05, M05-2X, M06, M06L, M06-2X, and M06-HF) were evaluated for the calculation of the UV-Vis spectra of the indigo molecule in solvents of different polarities using time-dependent density functional theory (TD-DFT) and the polarized continuum model (PCM).
The maximum absorption wavelengths predicted for each functional were compared with the known experimental results.
American Psychological Association (APA)
Cervantes-Navarro, Francisco& Glossman-Mitnik, Daniel. 2012. The Indigo Molecule Revisited Again : Assessment of the Minnesota Family of Density Functionals for the Prediction of Its Maximum Absorption Wavelengths in Various Solvents. Journal of Chemistry،Vol. 2013, no. 2013, pp.1-4.
https://search.emarefa.net/detail/BIM-450026
Modern Language Association (MLA)
Cervantes-Navarro, Francisco& Glossman-Mitnik, Daniel. The Indigo Molecule Revisited Again : Assessment of the Minnesota Family of Density Functionals for the Prediction of Its Maximum Absorption Wavelengths in Various Solvents. Journal of Chemistry No. 2013 (2013), pp.1-4.
https://search.emarefa.net/detail/BIM-450026
American Medical Association (AMA)
Cervantes-Navarro, Francisco& Glossman-Mitnik, Daniel. The Indigo Molecule Revisited Again : Assessment of the Minnesota Family of Density Functionals for the Prediction of Its Maximum Absorption Wavelengths in Various Solvents. Journal of Chemistry. 2012. Vol. 2013, no. 2013, pp.1-4.
https://search.emarefa.net/detail/BIM-450026
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-450026