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- W2015581759 abstract "Semi-classical simulations of the UV-photoabsorption cross sections of adenine, guanine, cytosine, thymine, and uracil in gas phase were performed at the resolution-of-identity coupled cluster to the second-order (RI-CC2) level. With the exception of cytosine, the spectra of the other four nucleobases show a two band pattern separated by a low intensity region. The spectrum of cytosine is shaped by a sequence of three bands of increasing intensity. The first band of guanine is composed by two ππ* transitions of similar intensities. The analysis of individual contributions to the spectra allows a detailed assignment of bands. It is shown that the semi-classical simulations are able to predict general features of the experimental spectra, including their absolute intensities." @default.
- W2015581759 created "2016-06-24" @default.
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- W2015581759 date "2010-01-01" @default.
- W2015581759 modified "2023-10-16" @default.
- W2015581759 title "The UV absorption of nucleobases: semi-classical ab initio spectra simulations" @default.
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- W2015581759 doi "https://doi.org/10.1039/b924956g" @default.
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