The spectroscopic properties of protonated and deprotonated PAHs are investigated through Density Functional Theory (DFT) calculations, with reference to their potential astrophysical significance. Attention is focussed on electronic and rotational spectra
Aims. This study was designed to examine the viability of protonated nitrogen-substituted polycyclic...
We computed the absolute photo-absorption cross-sections up to the vacuum ultaviolet (VUV) of a tota...
We computed the absolute photo-absorption cross-sections up to the vacuum ultaviolet (VUV) of a tota...
Polyciclic Aromatic Hydrocarbons (PAHs) are thought to be abundant in the interstellar medium and to...
Aims.We present a systematic, theoretical study of 40 polycyclic aromatic hydrocarbon dications (PA...
Aims.We present a systematic, theoretical study of 40 polycyclic aromatic hydrocarbon dications (PA...
IR spectra of anthracene and pyrene derivatives, serving as models for isolated, linear and isolated...
Interstellar Polycyclic Aromatic Hydrocarbon (PAH) molecules exist in diverse forms depending on the...
Context. Recent calculations have shown that the UV bump at about 217.5 nm in the extinction curve ...
The vibrationally resolved spectra of the pyrene cation and doubly-dehydrogenated pyrene cation (C16...
The vibrationally resolved spectra of the pyrene cation and doubly-dehydrogenated pyrene cation(C16H...
Theoretical and experimental spectroscopic studies have underlined the contribu-tion of large PAHs t...
The electronic and optical properties of some represenative molecules belonging to the PAHs family ...
Functionalized polycyclic aromatic hydrocarbons (PAHs) are an interesting class of molecules in whic...
Density functional theory has been employed to calculate the harmonic frequencies and intensities of...
Aims. This study was designed to examine the viability of protonated nitrogen-substituted polycyclic...
We computed the absolute photo-absorption cross-sections up to the vacuum ultaviolet (VUV) of a tota...
We computed the absolute photo-absorption cross-sections up to the vacuum ultaviolet (VUV) of a tota...
Polyciclic Aromatic Hydrocarbons (PAHs) are thought to be abundant in the interstellar medium and to...
Aims.We present a systematic, theoretical study of 40 polycyclic aromatic hydrocarbon dications (PA...
Aims.We present a systematic, theoretical study of 40 polycyclic aromatic hydrocarbon dications (PA...
IR spectra of anthracene and pyrene derivatives, serving as models for isolated, linear and isolated...
Interstellar Polycyclic Aromatic Hydrocarbon (PAH) molecules exist in diverse forms depending on the...
Context. Recent calculations have shown that the UV bump at about 217.5 nm in the extinction curve ...
The vibrationally resolved spectra of the pyrene cation and doubly-dehydrogenated pyrene cation (C16...
The vibrationally resolved spectra of the pyrene cation and doubly-dehydrogenated pyrene cation(C16H...
Theoretical and experimental spectroscopic studies have underlined the contribu-tion of large PAHs t...
The electronic and optical properties of some represenative molecules belonging to the PAHs family ...
Functionalized polycyclic aromatic hydrocarbons (PAHs) are an interesting class of molecules in whic...
Density functional theory has been employed to calculate the harmonic frequencies and intensities of...
Aims. This study was designed to examine the viability of protonated nitrogen-substituted polycyclic...
We computed the absolute photo-absorption cross-sections up to the vacuum ultaviolet (VUV) of a tota...
We computed the absolute photo-absorption cross-sections up to the vacuum ultaviolet (VUV) of a tota...
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