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Time-dependent density functional theory for polycyclic aromatic
hydrocarbon anions: What is the best approach,
C. W. Bauschlicher,
Chem. Phys. Lett. 409, 235-239 (2005)
abstract
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Cavity ring-down spectroscopy and theoretical calculations
of the S1(1B3u)-S0(1Ag) transition of jet-cooled perylene,
X. Tan, F. Salama,
J. Chem. Phys. 122, 084318-084318-9 (2005)
abstract
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The mid-infrared absorption spectra of neutral polycyclic aromatic
hydrocarbons in conditions relevant to dense interstellar clouds
, M. P. Bernstein, S. A. Sandford, L. J. Allamandola,
Astrophys. J. Supll. Ser. 161, 53-64 (2005)
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Theoretical electron affinities of PAHs and electronic absorption
spectra of their mono-anions, G. Malloci, G. Mulas,
G. Cappellini, V. Fiorentini, I. Porceddu,
Astron. Astrophys. 412, 585-594 (2005)
abstract
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Electronic absorption spectra of PAHs up to vacuum UV.
Towards a detailed model of interstellar PAH photophysics,
G. Malloci, G. Mulas, C. Joblin,
Astron. Astrophys. 426, 105-117 (2004)
abstract
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Electronic absorption spectra of neutral perylene (C20H12),
terrylene (C30H16), and quaterrylene (C40H20) and their positive and
negative ions: Ne matrix-isolation spectroscopy and time-dependent
density functional theory calculations,
T. M. Halasinski, J. L. Weisman, R. Ruiterkamp, T. J. Lee,
F. Salama, M. Head-Gordon,
J. Phys. Chem. A 107, 3660-3669 (2003)
abstract
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D1(2B2g)->D0(2Au) fluorescence from the matrix-isolated perylene
cation following laser excitation into the D5(2B3g) and D2(2B3g)
electronic states,
X. D. F. Chillier, B. M. Stone, C. Joblin, F. Salama,
L. J. Allamandola,
J. Chem. Phys. 116 5725-5730 (2002)
abstract
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Valence one-electron and shake-up ionization bands of polycyclic
aromatic hydrocarbons. II. Azulene, phenanthrene, pyrene,
chrysene, triphenylene, and perylene, M. S. Deleuze,
J. Chem. Phys. 116, 7012-7026 (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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Time-dependent density functional study on the electronic
excitation energies of polycyclic aromatic hydrocarbon radical
cations of naphthalene, anthracene, pyrene, and perylene,
S. Hirata, T. J. Lee, M. Head-Gordon,
J. Chem. Phys. 111, 8904-8912 (1999)
abstract
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First detection of an ultraviolet transition in an ionized
polycyclic aromatic hydrocarbon ,
X. D. F. Chillier, B. M. Stone, F. Salama, L. J. Allamandola,
J. Chem. Phys. 111 449-451 (1999)
abstract
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Absorption and emission spectroscopy of perylene (C20H12)
isolated in Ne, Ar, and N2 matrices,
C. Joblin, F. Salama, L. Allamandola,
J. Chem. Phys. 110, 7287-7297 (1999)
abstract
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Infrared spectroscopy of matrix-isolated polycyclic aromatic
hydrocarbons. 2. PAHs containing five or more rings,
D. M. Hudgins, S. A. Sandford,
J. Phys. Chem. A 102, 344-352 (1998)
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Crossover to an even-parity lowest excited singlet in large
oligorylenes: a theoretical study,
S. Karabunarliev, M. Baumgarten, K Mllen,
J. Chem. Phys. 102, 7029-7034 (1998)
abstract
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Photodetachment photoelectron spectroscopy of perylene and CS2:
two extreme cases,
J. Schiedt, R. Weinkauf,
Chem. Phys. Lett. 274, 18-22 (1997)
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VUV peaks in absorption spectra and photoion yield curves of
polycyclic aromatic hydrocarbons and related compounds,
H. W. Jochims, E. Rühl, 1, H. Baumgärtel, S. Tobita, S. Leach,
Int. J. Mass Spectr. Ion Proc. 167/168, 35-53 (1997)
abstract
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Theoretical infrared spectra for polycyclic aromatic hydrocarbon
neutrals, cations, and anions,
S. R. Langhoff,
J. Phys. Chem. 100, 2819-2841 (1996)
abstract
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Photoinduced fluorescence from the perylene cation isolated
in Ne and Ar matrices, C. Joblin, F. Salama, L. J. Allamandola,
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Single- and double-ionization potentials of polycyclic aromatic
hydrocarbons and fullerenes by photon and electron impact,
S. Tobita, S. Leach, H. W. Jochims, E. Rühl, E. Illenberger, E.
H. Baumgärtel,
Canadian J. of Phys. 72, 1060-1069 (1994)
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Size effects on dissociation rates of polycyclic aromatic
hydrocarbon cations: Laboratory studies and astophysical
implications,
H. W. Jochims, E. Rühl, H. Baumgärtel, S. Tobita, S. Leach,
Astrophys. J. 420, 307-317 (1994)
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On the vibronic structure of the absorption spectra of radical cations of some polycyclic aromatic hydrocarbons,
F. Negri, M. Zgierski,
J. Chem. Phys. 110, 1387-1399 (1994)
abstract
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Laboratory spectra of polycyclic aromatic hydrocarbon ions and
the interstellar extinction curve,
W. Lee, T. J. Wdowiak,
Astrophys. J. 410 L127-L130 (1993)
abstract
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Infrared frequencies and intensities for astrophysically
important polycyclic aromatic hydrocarbon cations,
J. Szczepanski, M. Vala, Astrophys. J. 414 646-655 (1993)
abstract
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Laboratory evidence for ionized polycyclic aromatic hydrocarbons
in the interstellar medium, J. Szczepanski, M. Vala,
Nature 363 699-701 (1993)
abstract
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Visible and infrared spectra of matrix-isolated perylene
cations, J. Szczepanski, C. Chapo, M. Vala,
Chem. Phys. Lett. 205 434-439 (1993)
abstract
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Inelastic scattering of 30 keV electrons in vapours of
triphenylene, perylene and ferrocene,
E. E. Koch, A. Otto,
Chem. Phys. Lett. 6 15-18 (1970)
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