|
Electron affinities of polycyclic aromatic hydrocarbons by means
of B3LYP/6-31+G* calculations, A. Modelli, L. Mussoni,
D. Fabbri,
J. Phys. Chem. A 110, 6482-6486 (2006)
abstract
|
|
Far-infrared spectroscopy of small polycyclic aromatic
hydrocarbons, O. Pirali, N.-T. Van-Oanh, P. Parneix,
M. Vervloet, P. Bréchignac,
Phys. Chem. Chem. Phys. 8, 3707-3714 (2006)
abstract
|
|
Electronic structure and excitations in oligoacenes from ab
initio calculations, E. S. Kadantsev, M. J. Stott, A. Rubio,
J. Chem. Phys. 124, 134901-134911 (2006)
abstract
|
|
Electronic spectroscopy of anthracene molecules trapped in
helium nanodroplets,
S. Krasnokutski, G. Rouillé, F. Huisken
Chem. Phys. Lett. 406, 386-392 (2005)
abstract
|
|
Recombination of polycyclic aromatic hydrocarbon photoions with
electrons in a flowing afterglow plasma,
O. Novotny, B. Sivaraman, C. Rebrion-Rowe, D. Travers,
L. Biennier, J. B. A. Mitchell, B. R. Rowe,
J. Chem. Phys. 123, 104303-1 - 104303-6 (2005)
abstract
|
|
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)
abstract
|
|
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
|
|
D2 ← D0 transition of the anthracene cation observed by cavity
ring-down absorption spectroscopy in a supersonic jet,
O. Sukhorukov, A. Staicu, E. Diegel, G. Rouillé, T. Henning,
F. Huisken,
Chem. Phys. Lett. 386, 259-264 (2004)
abstract
|
|
Cavity ring-down laser absorption spectroscopy of jet-cooled
anthracene,
A. Staicu, O. Sukhorukov, G. Rouillé, T. Henning, F. Huisken
Mol. Phys. 102, 1777-1783 (2004)
abstract
|
|
Electronic absorption spectra of PAHs up to vacuum UV.
Towards a detailed model of interstellar PAH photophysics,
G. Malloci, G. Mulas and C. Joblin,
Astron. Astrophys. 426, 105-117 (2004)
abstract
|
|
Photoionization of Benzene and Small Polycyclic Aromatic
Hydrocarbons in Ultraviolet-processed Astrophysical Ices:
A Computational Study, D. E. Woon, J.-Y. Park,
Astrophys. J. 607 342-345 (2004)
abstract
|
|
Density functional calculations of the vibronic structure of
electronic absorption spectra, M. Dierksen, S. Grimme,
J. Chem. Phys. 120, 3544-3554 (2004)
abstract
|
|
Laboratory Infrared Spectroscopy of Cationic Polycyclic Aromatic
Hydrocarbon Molecules, J. Oomens, A. G. G. M. Tielens, B. G.
Sartakov, G. von Helden, G. Meijer,
Astrophys. J. 591, 968-985 (2003)
abstract
|
|
Substantial errors from time-dependent density functional theory
for the calculation of excited states of large pi systems,
S. Grimme, M. Parac,
Chem. Phys. Chem. 4, 292-295 (2003)
abstract
|
|
Benchmark theoretical study of the ionization threshold of
benzene and oligoacenes, M. S. Deleuze, L. Claes,
E. S. Kryachko, J.-P. Francois,
J. Phys. Chem. 119, 3106-3119 (2003)
abstract
|
|
The infrared signatures of non-regular PAHs,
F. Pauzat, Y. Ellinger,
Chem. Phys. 280, 267-282 (2002)
abstract
|
|
Comparison of multireference Moller-Plesset theory and
time-dependent methods for the calculation of vertical excitation
energies of molecules,
M. Parac, S. Grimme,
J. Phys. Chem. A 106, 6844-6850 (2002)
abstract
|
|
Valence one-electron and shake-up ionization bands of polycyclic
aromatic hydrocarbons. I. Benzene, naphthalene, anthracene,
naphthacene, and pentacene,
M. S. Deleuze, A. B. Trofimov, L. S. Cederbaum,
J. Chem. Phys. 115, 5859-5882 (2001)
abstract
|
|
Electron affinities of polycyclic aromatic hydrocarbons,
J. C. Rienstra-Kiracofe, C. J. Barden, S. T. Brown,
H. F. Schaefer III
J. Phys. Chem. A 105, 524-528 (2001)
abstract
|
|
A density functional theory study of the anthracene anion,
C. E. H. Dessent
Chem. Phys. Lett. 330, 180-187 (2000)
abstract
|
|
Gas-phase infrared photodissociation spectroscopy of cationic
polyaromatic hydrocarbons
, J. Oomens, A. J. A. van Roij, G. Meijer, G. von Helden,
Astrophys. J. 542, 404-410 (2000)
abstract
|
|
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
|
|
Structure-dependent photostability of polycyclic aromatic
hydrocarbon cations: Laboratory studies and astrophysical
implications,
H. W. Jochims, H. Baumgärtel, S. Leach,
Astrophys. J. 512, 500-510 (1999)
abstract
|
|
Modelling the signatures of interstellar polycyclic aromatic
hydrocarbons with quantum chemistry,
Y. Ellinger, F. Pauzat, B. H. Lengsfield,
J. Mol. Struct. (Theochem) 458, 203-215 (1999)
abstract
|
|
Infrared spectra of polycyclic aromatic hydrocarbons: nitrogen
substitution,
C. W. Bauschlicher,
Chem. Phys. 234, 87-94 (1998)
abstract
|
|
Infrared spectra of polycyclic aromatic hydrocarbons: methyl
substitution and loss of H,
C. W. Bauschlicher, S. R. Langhoff,
Chem. Phys. 234, 79-86 (1998)
abstract
|
|
Infrared spectra of substituted polycyclic aromatic
hydrocarbons,
S. R. Langhoff, C. W. Bauschlicher, D. M. Hudgins,
S. A. Sandford, L. J. Allamandola,
J. Phys. Chem. A 102, 1632 -1646 (1998)
abstract
|
|
Infrared spectroscopy of matrix-isolated polycyclic aromatic
hydrocarbons. 1. PAHs containing two to four rings,
D. M. Hudgins, S. A. Sandford,
J. Phys. Chem. A 102, 329-343 (1998)
abstract
|
|
Photodetachment photoelectron spectroscopy of mass selected
anions: anthracene and the anthracene-H2O cluster,
J. Schiedt, R. Weinkauf,
Chem. Phys. Lett. 266, 201-205 (1997)
abstract
|
|
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
|
|
Properties of some condensed aromatic systems,
K. B. Wiberg, J. Org. Chem. 62, 5720-5727 (1997)
abstract
|
|
Polycyclic aromatic hydrocarbon lifetime in cometary environments
,
C. Joblin, P. Boissel, P. de Parseval,
Planet. Space Sci. 45, 1539-1542 (1997)
abstract
|
|
The gas-phase infrared spectra of anthracene-h10 and
anthracene-d10,
E. Cané, A. Miani, P. Palmieri, R. Tarroni, A. Trombetti,
J. Chem. Phys. 106, 9004-9012 (1997)
abstract
|
|
Fragmentation of isolated ions by multiple photon absorption:
A quantitative study,
P. Boissel, P. de Parseval, P. Marty, G. Lefèvre,
J. Chem. Phys. 106, 4973-4984 (1997)
abstract
|
|
Energetics of acetylene loss from C14H10+ cations: a density
functional calculation,
Y. Ling, J. M. L. Martin, C. Lifshitz
J. Phys. Chem. A 101, 219-226 (1997)
abstract
|
|
The PAH hypothesis: a computational experiment on the combined
effects of ionization and dehydrogenation on the IR signatures
, F. Pauzat, D. Talbi, Y. Ellinger,
Astron. Astrophys. 319, 318-330 (1997)
abstract
|
|
Structure and vibrational spectrum of some polycyclic
aromatic compounds studied by density functional theory. 1.
Naphthalene, azulene, phenanthrene, and anthracene,
J. M. L. Martin, J. El-Yazal, J. Francois,
J. Phys. Chem. 100, 15358-15367 (1996)
abstract
|
|
Photoionization quantum yields of polycyclic aromatic
hydrocarbons, H. W. Jochims, H. Baumgaertel, S. Leach,
Astron. Astrophys. 314, 1003-1009 (1996)
abstract
|
|
Photodestruction of PAHs in the interstellar medium. II.
Influence of the states of ionization and hydrogenation,
T. Allain, S. Leach, E. Sedlmayr,
Astron. Astrophys. 305, 616-630 (1996)
abstract
|
|
Photodestruction of PAHs in the interstellar medium. I.
Photodissociation rates for the loss of an acetylenic group,
T. Allain, S. Leach, E. Sedlmayr,
Astron. Astrophys. 305, 602-615 (1996)
abstract
|
|
Theoretical infrared spectra for polycyclic aromatic hydrocarbon
neutrals, cations, and anions,
S. R. Langhoff,
J. Phys. Chem. 100, 2819-2841 (1996)
abstract
|
|
Ionization energies of anthracene, phenanthrene, and
naphthacene,
V. G. Zakrzewski, O. Dolgounitcheva, J. V. Ortiz,
J. Phys. Chem. 105, 8748-8753 (1996)
abstract
|
|
Plasmon excitation in polycyclic aromatic hydrocarbons studied
by photoionization,
Y. Ling, C. Lifshitz,
Chem. Phys. Lett. 257, 587-591 (1996)
abstract
|
|
Ab initio theoretical study of the electronic absorption spectra
of polycyclic aromatic hydrocarbon radical cations of naphthalene,
anthracene and phenanthrene,
C. Niederalt, S. Grimme and S. D. Peyerimhoff
Chem. Phys. Lett. 245, 455-462 (1995)
abstract
|
|
Infrared spectroscopy of gas-phase PAH molecules. 2: Role of
the temperature,
C. Joblin, P. Boissel, A. Leger, L. d'Hendecourt, D. Deforuneau,
Astron. Astrophys. 299, 835-846 (1995)
abstract
|
|
Infrared spectroscopy of matrix-isolated polycyclic aromatic
hydrocarbon cations. 3. The polyacenes anthracene, tetracene
and pentacene,
D. M. Hudgins, L. A. Allamandola,
J. Phys. Chem. 99, 8978-8986 (1995)
abstract
|
|
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)
abstract
|
|
Infrared spectroscopy of gas-phase PAH molecules. 1: Role of
the physical environment,
C. Joblin, L. d'Hendecourt, A. Leger, D. Deforuneau,
Astron. Astrophys. 281, 923-936 (1994)
abstract
|
|
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
|
|
Unidentified infrared emission bands - Models for the carriers
of the satellites of the 3.3 micron band,
D. Talbi, F. Pauzat, Y. Ellinger,
Astron. Astrophys. 268, 805-811 (1993)
abstract
|
|
Infrared frequencies and intensities for astrophysically
important polycyclic aromatic hydrocarbon cations,
J. Szczepanski, M. Vala, Astrophys. J. 414 646-655 (1993)
abstract
|
|
Laboratory evidence for ionized polycyclic aromatic hydrocarbons
in the interstellar medium, J. Szczepanski, M. Vala,
Nature 363 699-701 (1993)
abstract
|
|
Electronic and vibrational spectra of matrix isolated anthracene
radical cations: Experimental and theoretical aspects,
J. Szczepanski, M. Vala, D. Talbi, O. Parisel, Y. Ellinger,
J. Chem. Phys. 98 4494-4511 (1993)
abstract
|
|
Theoretical infrared spectra of some model polycyclic aromatic
hydrocarbons - Effect of ionization, D. J. de Frees, M. D.
Miller, D. Talbi, F. Pauzat, Y. Ellinger,
Astrophys. J. 408 530-538 (1993)
abstract
|
|
Higher excited states of aromatic hydrocarbons: polarized VUV
fluorescence-excitation spectra of anthracence and pyrene in
argon matrices at 15 K using synchrotron radiation,
M. S. Gudipati, J. Daverkausen, G. Hohlneicher,
Chem. Phys. 173 143-157 (1993)
abstract
|
|
Contribution of polycyclic aromatic hydrocarbon molecules
to the interstellar extinction curve,
C. Joblin, A. Léger, P. Martin,
Astrophys. J. 393, L79-L82 (1992)
abstract
|
|
3.3 micron emission from ultraviolet excitation of some aromatic
molecules,
J. Shan, M. Suton, L. C. Lee,
Astrophys. J. 383, 459-465 (1991)
abstract
|
|
Simple linear polycyclic aromatic hydrocarbon molecules and the
infrared emission features - Mothballs in the Orion ridge?,
W. W. Duley, A. P. Jones, Astrophys. J. 351 L49-L52 (1990)
abstract
|
|
Optical selection studies of electronic relaxation from the S1
state of jet-cooled anthracene derivatives,
A. Amirav, C. Horwitz, J. Jortner,
J. Chem. Phys. 88 3092-3110 (1988)
abstract
|
|
Vibronic absorption spectra of condensed ring aromatic cation
systems in solid argon,
L. Andrews, R. S. Friedman, B. J. Kelsall,
J. Phys. Chem. 89 4016-4020 (1985)
abstract
|
|
Jet spectroscopy of anthracene and deuterated anthracenes,
W. R. Lambert, P. M. Felker, J. A. Syage, A. H. Zewail,
J. Chem. Phys. 81 2195-2208 (1984)
abstract
|
|
Magnetic circular dichroism of cyclic .pi.-electron systems. 11.
Derivatives and aza analogues of anthracene,
R. P. Steiner, J. Michl,
J. Am. Chem. Soc. 100 6861-6867 (1978)
abstract
|
|
The location of the 1Lb transition of anthracene by dichroism
techniques,
S. F. Mason, R. D. Peacock,
Chem. Phys. Lett. 21 406-408 (1973)
abstract
|
|
The absorption spectrum of the anthracene molecule in the vacuum
ultraviolet,
E. E. Koch, A. Otto, K. Radler,
Chem. Phys. Lett. 21 501-504 (1972)
abstract
|
|
Two-photon spectroscopy utilizing dye lasers,
A. Bergman, J. Jortner,
Chem. Phys. Lett. 15 309-315 (1972)
abstract
|
|
Characteristic energy losses of 30 keV - electrons in vapours of
aromatic hydrocarbons,
E. E. Koch, A. Otto,
Optics Communications 1 47-49 (1969)
abstract
|
| Ionization potential of the anthracene molecule from Rydberg
absorption bands,
J. G. Angus, G. C. Morris,
J. Mol. Spectrosc. 21 310-324 (1966)
abstract
|
| The absorption spectrum of anthracene vapor from 36,000 to
66,000 cm-1,
L. E. Lyons, G. C. Morris,
J. Mol. Spectrosc. 4 480-487 (1960)
abstract
|