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Theoretical evaluation of PAH dication properties,
G. Malloci, C. Joblin, G. Mulas,
Astron. Astrophys. in press, (2006)
abstract
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Stacked clusters of polycyclic aromatic hydrocarbon
molecules,
M. Rapacioli, F. Calvo, F. Spiegelman, C. Joblin, D. J. Wales,
J. Phys. Chem. A 109, 2487-2497 (2006)
abstract
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Quantum-chemical modeling of interstellar grain prebiotic
chemistry: catalytic synthesis of glycine and alanine on the
surface of a polycyclic aromatic hydrocarbon flake,
C. Mendoza, F. Ruette, G. Martorell , L. S. Rodríguez,
Astrophys. J. 601, L59-L62 (2004)
abstract
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Time-dependent density functional theory calculations of large
compact polycyclic aromatic hydrocarbon cations: implications for
the diffuse interstellar bands,
J. L. Weisman, T. J. Lee, F. Salama, M. Head-Gordon,
Astroph. J. 587, 256-261 (2003)
abstract
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The Infrared Spectra of C96H24, C96H24+, and C96H25+,
C. W. Bauschlicher,
Astroph. J. 564, 782-786 (2002)
abstract
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A computational study of the Raman spectra of large polycyclic
aromatic hydrocarbons: toward molecularly defined subunits of
graphite,
F. Negri, C. Castiglioni, M. Tommasini, G. Zerbi,
J. Chem. Phys. 106, 3306-3317 (2002)
abstract
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Density functional theory prediction of the vibrational spectra
of polycyclic aromatic hydrocarbons: effect of molecular
symmetry and size on Raman intensities,
M. Rigolio, C. Castiglioni, G. Zerbi, F. Negri,
J. Mol. Struct. 563-564, 79-87 (2001)
abstract
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The reaction of polycyclic aromatic hydrocarbon anions with
hydrogen,
C. W. Bauschlicher, E. L. O. Bakes,
Chem. Phys. 274, 11-14 (2001)
abstract
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Infrared spectra of polycyclic aromatic hydrocarbons (PAHs),
C. W. Bauschlicher, E. L. O. Bakes,
Chem. Phys. 262, 285-291 (2000)
abstract
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