TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids(354 views) Fahleson T, Kauczor J, Norman P, Santoro F, Improta R, Coriani S
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5476-5489.
Keywords: Aromatic Compounds, Biomolecules, Continuum Mechanics, Nucleic Acids, Solvents, Spectroscopy, Computational Studies, Energy Differences, Explicit Water Molecules, Magnetic Circular Dichroism Spectra, Polarizable Continuum Model, Qualitative Shapes, Wavelength Regions,
Affiliations: *** IBB - CNR ***
Department of Physics, Chemistry and Biology, Linköping University, Linköping, Sweden
Istituto di Chimica Dei Composti Organometallici (ICCOM-CNR), Area della Ricerca del CNR, Via Moruzzi 1, Pisa, Italy
Istituto di Biostrutture e Bioimmagini-CNR, Via Mezzocannone 6, Napoli, Italy
Dipartimento di Scienze Chimiche e Farmaceutiche, Università Degli Studi di Trieste, Via L. Giorgieri 1, Trieste, Italy
Aarhus Institute of Advanced Studies, Aarhus University, Aarhus C, Denmark
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TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids
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