Astronomy & Astrophysics (A&A)

First results of the ORGANIC experiment on EXPOSE-R on the ISS

K.L. Bryson, F. Salama, A. Elsaesser, et al.
International Journal of Astrobiology 14 (1) 55 (2015)
DOI: 10.1017/S1473550414000597
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Simulations of Light Absorption of Carbon Particles in Nanoaerosol Clusters

Thomas Hede, N. Arul Murugan, Jacob Kongsted, Caroline Leck and Hans Ågren
The Journal of Physical Chemistry A 118 (10) 1879 (2014)
DOI: 10.1021/jp412384j
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Theoretical Study on Molecules of Interstellar Interest. I. Radical Cation of Noncompact Polycyclic Aromatic Hydrocarbons

Samala Nagaprasad Reddy and S. Mahapatra
The Journal of Physical Chemistry A 117 (36) 8737 (2013)
DOI: 10.1021/jp4033645
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Light-Induced Field Enhancement in Nanoscale Systems from First-Principles: The Case of Polyacenes

Luca Bursi, Arrigo Calzolari, Stefano Corni and Elisa Molinari
ACS Photonics 1 (10) 1049 (2014)
DOI: 10.1021/ph500269q
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Fluorescence of the perylene radical cation and an inaccessible D0/D1 conical intersection: An MMVB, RASSCF, and TD-DFT computational study

Andrei M. Tokmachev, Martial Boggio-Pasqua, David Mendive-Tapia, Michael J. Bearpark and Michael A. Robb
The Journal of Chemical Physics 132 (4) 044306 (2010)
DOI: 10.1063/1.3278545
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ELECTRONIC SPECTROSCOPY OF MEDIUM-SIZED POLYCYCLIC AROMATIC HYDROCARBONS: IMPLICATIONS FOR THE CARRIERS OF THE 2175 Å UV BUMP

M. Steglich, C. Jäger, G. Rouillé, et al.
The Astrophysical Journal 712 (1) L16 (2010)
DOI: 10.1088/2041-8205/712/1/L16
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Internal conversion outcompetes autodetachment from resonances in the deprotonated tetracene anion continuum

James N. Bull, Christopher W. West and Jan R. R. Verlet
Physical Chemistry Chemical Physics 17 (48) 32464 (2015)
DOI: 10.1039/C5CP05388A
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Infrared Emission from Interstellar Dust. IV. The Silicate‐Graphite‐PAH Model in the Post‐SpitzerEra

B. T. Draine and Aigen Li
The Astrophysical Journal 657 (2) 810 (2007)
DOI: 10.1086/511055
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Infrared spectra of ovalene (C32H14) and hydrogenated ovalene (C32H15˙) in solid para-hydrogen

Masashi Tsuge, Mohammed Bahou, Yu-Jong Wu, Louis Allamandola and Yuan-Pern Lee
Physical Chemistry Chemical Physics 18 (41) 28864 (2016)
DOI: 10.1039/C6CP05701B
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Evidence of neutral radical induced analyte ion transformations in APPI and Near-VUV APLI

Hendrik Kersten, Valerie Funcke, Matthias Lorenz, et al.
Journal of the American Society for Mass Spectrometry 20 (10) 1868 (2009)
DOI: 10.1016/j.jasms.2009.06.014
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The role of the charge state of PAHs in ultraviolet extinction

C. Cecchi-Pestellini, G. Malloci, G. Mulas, C. Joblin and D. A. Williams
Astronomy & Astrophysics 486 (3) L25 (2008)
DOI: 10.1051/0004-6361:200810015
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Theoretical spectral properties of PAHs: towards a detailed model of their photophysics in the ISM

Giuliano Malloci, Giacomo Mulas and Ignazio Porceddu
Journal of Physics: Conference Series 6 178 (2005)
DOI: 10.1088/1742-6596/6/1/020
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Abundances of PAHs in the ISM: confronting observations with experimental results

R. Gredel, Y. Carpentier, G. Rouillé, et al.
Astronomy & Astrophysics 530 A26 (2011)
DOI: 10.1051/0004-6361/201116602
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The Ultraviolet to Near‐Infrared Optical Properties of Polycyclic Aromatic Hydrocarbons: A Semiempirical Model

A. L. Mattioda, L. J. Allamandola and D. M. Hudgins
The Astrophysical Journal 629 (2) 1183 (2005)
DOI: 10.1086/431303
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PHOTON-INDUCED FORMATION OF MOLECULAR HYDROGEN FROM A NEUTRAL POLYCYCLIC AROMATIC HYDROCARBON: 9,10-DIHYDROANTHRACENE

Yi Fu, Jan Szczepanski and Nick C. Polfer
The Astrophysical Journal 744 (1) 61 (2012)
DOI: 10.1088/0004-637X/744/1/61
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Time-dependent density-functional theory for extended systems

Silvana Botti, Arno Schindlmayr, Rodolfo Del Sole and Lucia Reining
Reports on Progress in Physics 70 (3) 357 (2007)
DOI: 10.1088/0034-4885/70/3/R02
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Identification of fullerene-like CdSe nanoparticles from optical spectroscopy calculations

Silvana Botti and Miguel A. L. Marques
Physical Review B 75 (3) 035311 (2007)
DOI: 10.1103/PhysRevB.75.035311
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CHARACTERIZING ULTRAVIOLET AND INFRARED OBSERVATIONAL PROPERTIES FOR GALAXIES. II. FEATURES OF ATTENUATION LAW

Ye-Wei Mao, Xu Kong and Lin Lin
The Astrophysical Journal 789 (1) 76 (2014)
DOI: 10.1088/0004-637X/789/1/76
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On-line database of the spectral properties of polycyclic aromatic hydrocarbons

Giuliano Malloci, Christine Joblin and Giacomo Mulas
Chemical Physics 332 (2-3) 353 (2007)
DOI: 10.1016/j.chemphys.2007.01.001
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Theory of linear optical absorption in diamond-shaped graphene quantum dots

Tista Basak, Himanshu Chakraborty and Alok Shukla
Physical Review B 92 (20) (2015)
DOI: 10.1103/PhysRevB.92.205404
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Time-dependent density functional study of the electronic spectra of oligoacenes in the charge states −1, 0, +1, and +2

G. Malloci, G. Mulas, G. Cappellini and C. Joblin
Chemical Physics 340 (1-3) 43 (2007)
DOI: 10.1016/j.chemphys.2007.07.046
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Laboratory Gas-phase Infrared Spectra of Two Astronomically Relevant PAH Cations: Diindenoperylene, ${{\rm{C}}}_{32}{{\rm{H}}}_{16}^{+}$ and Dicoronylene, ${{\rm{C}}}_{48}{{\rm{H}}}_{20}^{+}$

Junfeng Zhen, Alessandra Candian, Pablo Castellanos, et al.
The Astrophysical Journal 854 (1) 27 (2018)
DOI: 10.3847/1538-4357/aaa7f2
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Excitation Spectra of Cation and Anion Radicals of Several Unsaturated Hydrocarbons: Symmetry Adapted Cluster-Configuration Interaction Theoretical Study

Yasushi Honda, Tadamasa Shida and Hiroshi Nakatsuji
The Journal of Physical Chemistry A 116 (48) 11833 (2012)
DOI: 10.1021/jp3051565
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An extended DFTB-CI model for charge-transfer excited states in cationic molecular clusters: model studies versus ab initio calculations in small PAH clusters

Léo Dontot, Nicolas Suaud, Mathias Rapacioli and Fernand Spiegelman
Physical Chemistry Chemical Physics 18 (5) 3545 (2016)
DOI: 10.1039/C5CP06344B
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Identifyingspecificinterstellar polycyclic aromatic hydrocarbons

Giacomo Mulas, Giuliano Malloci and Ignazio Porceddu
Journal of Physics: Conference Series 6 217 (2005)
DOI: 10.1088/1742-6596/6/1/026
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Pump-Probe Spectroscopy of Exciton Dynamics in (6,5) Carbon Nanotubes

Zipeng Zhu, Jared Crochet, Michael S. Arnold, et al.
The Journal of Physical Chemistry C 111 (10) 3831 (2007)
DOI: 10.1021/jp0669411
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Low-lying, Rydberg states of polycyclic aromatic hydrocarbons (PAHs) and cyclic alkanes

E. Bohl, B. Mignolet, J. O. Johansson, F. Remacle and E. E. B. Campbell
Physical Chemistry Chemical Physics 19 (35) 24090 (2017)
DOI: 10.1039/C7CP03913A
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Anisotropy and Size Effects on the Optical Spectra of Polycyclic Aromatic Hydrocarbons

Caterina Cocchi, Deborah Prezzi, Alice Ruini, Marilia J. Caldas and Elisa Molinari
The Journal of Physical Chemistry A 118 (33) 6507 (2014)
DOI: 10.1021/jp503054j
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A general model for the identification of specific PAHs in the far-IR

G. Mulas, G. Malloci, C. Joblin and D. Toublanc
Astronomy & Astrophysics 460 (1) 93 (2006)
DOI: 10.1051/0004-6361:20054276
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Correlated Electronic States of a Few Polycyclic Aromatic Hydrocarbons: A Computational Study

Geetanjali Giri, Y. Anusooya Pati and S. Ramasesha
The Journal of Physical Chemistry A 123 (25) 5257 (2019)
DOI: 10.1021/acs.jpca.9b02196
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The planar-to-tubular structural transition in boron clusters from optical absorption

Miguel A. L. Marques and Silvana Botti
The Journal of Chemical Physics 123 (1) 014310 (2005)
DOI: 10.1063/1.1948386
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VUV PHOTO-PROCESSING OF PAH CATIONS: QUANTITATIVE STUDY ON THE IONIZATION VERSUS FRAGMENTATION PROCESSES

Junfeng Zhen, Sarah Rodriguez Castillo, Christine Joblin, et al.
The Astrophysical Journal 822 (2) 113 (2016)
DOI: 10.3847/0004-637X/822/2/113
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Ultraviolet laser desorption/ionization mass spectrometry of single-core and multi-core polyaromatic hydrocarbons under variable conditions of collisional cooling: insights into the generation of molecular ions, fragments and oligomers

Francisco Gámez, Ana R. Hortal, Bruno Martínez-Haya, Jens Soltwisch and Klaus Dreisewerd
Journal of Mass Spectrometry 49 (11) 1127 (2014)
DOI: 10.1002/jms.3433
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Dehydrogenated polycyclic aromatic hydrocarbons and UV bump

G. Malloci, G. Mulas, C. Cecchi-Pestellini and C. Joblin
Astronomy & Astrophysics 489 (3) 1183 (2008)
DOI: 10.1051/0004-6361:200810177
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Methyl radical addition to the surface of graphene nanoflakes: A density functional theory study

Hiroto Tachikawa
Surface Science 679 196 (2019)
DOI: 10.1016/j.susc.2018.09.013
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Electronic Spectroscopy of PAHs

T. Pino, Y. Carpentier, G. Féraud, et al.
EAS Publications Series 46 355 (2011)
DOI: 10.1051/eas/1146037
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Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: Application to polycyclic aromatic hydrocarbons

Miguel A. L. Marques, Alberto Castro, Giuliano Malloci, Giacomo Mulas and Silvana Botti
The Journal of Chemical Physics 127 (1) 014107 (2007)
DOI: 10.1063/1.2746031
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VUV spectroscopy of carbon dust analogs: contribution to interstellar extinction

L. Gavilan, I. Alata, K. C. Le, et al.
Astronomy & Astrophysics 586 A106 (2016)
DOI: 10.1051/0004-6361/201527098
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Evolution of polycyclic aromatic hydrocarbons in photodissociation regions

J. Montillaud, C. Joblin and D. Toublanc
Astronomy & Astrophysics 552 A15 (2013)
DOI: 10.1051/0004-6361/201220757
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Protonated PAHs as carriers of diffuse interstellar bands

A. Pathak and P. J. Sarre
Monthly Notices of the Royal Astronomical Society: Letters (2008)
DOI: 10.1111/j.1745-3933.2008.00544.x
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Laser induced fluorescence spectroscopy of aromatic species produced in atmospheric sooting flames using UV and visible excitation wavelengths

Salma Bejaoui, Xavier Mercier, Pascale Desgroux and Eric Therssen
Combustion and Flame 161 (10) 2479 (2014)
DOI: 10.1016/j.combustflame.2014.03.014
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Temporal and spectral characterization of femtosecond deep-UV chirped pulses

Mohammadhassan Valadan, Davide D’Ambrosio, Felice Gesuele, Raffaele Velotta and Carlo Altucci
Laser Physics Letters 12 (2) 025302 (2015)
DOI: 10.1088/1612-2011/12/2/025302
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Evaporating very small grains as tracers of the UV radiation field in photo-dissociation regions

P. Pilleri, J. Montillaud, O. Berné and C. Joblin
Astronomy & Astrophysics 542 A69 (2012)
DOI: 10.1051/0004-6361/201015915
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Modeling the anharmonic infrared Emission Spectra of PAHs: Application to the Pyrene Cation

M. Basire, P. Parneix, T. Pino, Ph. Bréchignac and F. Calvo
EAS Publications Series 46 95 (2011)
DOI: 10.1051/eas/1146009
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Modelling the physical and chemical evolution of PAHs and PAH-related species in astrophysical environments

J. Montillaud, C. Joblin and D. Toublanc
EAS Publications Series 46 447 (2011)
DOI: 10.1051/eas/1146046
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Structural, electronic, and optical properties of the diindenoperylene molecule from first-principles density-functional theory

Lavanya M. Ramaniah and Mauro Boero
Physical Review A 74 (4) 042505 (2006)
DOI: 10.1103/PhysRevA.74.042505
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CAN NEUTRAL AND IONIZED POLYCYCLIC AROMATIC HYDROCARBONS BE CARRIERS OF THE ULTRAVIOLET EXTINCTION BUMP AND THE DIFFUSE INTERSTELLAR BANDS?

M. Steglich, J. Bouwman, F. Huisken and Th. Henning
The Astrophysical Journal 742 (1) 2 (2011)
DOI: 10.1088/0004-637X/742/1/2
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The Excitation of Extended Red Emission: New Constraints on Its Carrier fromHubble Space TelescopeObservations of NGC 7023

Adolf N. Witt, Karl D. Gordon, Uma P. Vijh, et al.
The Astrophysical Journal 636 (1) 303 (2006)
DOI: 10.1086/498052
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Polycyclic Aromatic Hydrocarbons and the Extinction Curve

G. Mulas, G. Malloci, C. Joblin and C. Cecchi–Pestellini
EAS Publications Series 46 327 (2011)
DOI: 10.1051/eas/1146034
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Astrochemical relevance of VUV ionization of large PAH cations

G. Wenzel, C. Joblin, A. Giuliani, et al.
Astronomy & Astrophysics 641 A98 (2020)
DOI: 10.1051/0004-6361/202038139
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THE INFRARED SPECTRUM OF PROTONATED OVALENE IN SOLID PARA-HYDROGEN AND ITS POSSIBLE CONTRIBUTION TO INTERSTELLAR UNIDENTIFIED INFRARED EMISSION

Masashi Tsuge, Mohammed Bahou, Yu-Jong Wu, Louis Allamandola and Yuan-Pern Lee
The Astrophysical Journal 825 (2) 96 (2016)
DOI: 10.3847/0004-637X/825/2/96
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The UV signature of carbon in the solar system

Amanda R. Hendrix, Faith Vilas and Jian-Yang Li
Meteoritics & Planetary Science 51 (1) 105 (2016)
DOI: 10.1111/maps.12575
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Hydrogen atom addition to the surface of graphene nanoflakes: A density functional theory study

Hiroto Tachikawa
Applied Surface Science 396 1335 (2017)
DOI: 10.1016/j.apsusc.2016.11.158
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UV-vis spectra of singlet state cationic polycyclic aromatic hydrocarbons: Time-dependent density functional theory study

Justyna Dominikowska, Malgorzata Domagala and Marcin Palusiak
The Journal of Chemical Physics 140 (4) 044324 (2014)
DOI: 10.1063/1.4862902
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Near edge X-ray absorption mass spectrometry on coronene

G. Reitsma, L. Boschman, M. J. Deuzeman, et al.
The Journal of Chemical Physics 142 (2) 024308 (2015)
DOI: 10.1063/1.4905471
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Photodissociation of [Fex(C24H12)y]+ Complexes in the PIRENEA Setup: Iron-Polycyclic Aromatic Hydrocarbon Clusters as Candidates for Very Small Interstellar Grains

Aude Simon and Christine Joblin
The Journal of Physical Chemistry A 113 (17) 4878 (2009)
DOI: 10.1021/jp8099785
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Estimated IR and phosphorescence emission fluxes for specific polycyclic aromatic hydrocarbons in the Red Rectangle

G. Mulas, G. Malloci, C. Joblin and D. Toublanc
Astronomy & Astrophysics 446 (2) 537 (2006)
DOI: 10.1051/0004-6361:20053738
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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 and I. Porceddu
Astronomy & Astrophysics 432 (2) 585 (2005)
DOI: 10.1051/0004-6361:20042246
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Photoionization Efficiencies of Five Polycyclic Aromatic Hydrocarbons

K. Olof Johansson, Matthew F. Campbell, Paolo Elvati, et al.
The Journal of Physical Chemistry A 121 (23) 4447 (2017)
DOI: 10.1021/acs.jpca.7b02991
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Theoretical evaluation of PAH dication properties

G. Malloci, C. Joblin and G. Mulas
Astronomy & Astrophysics 462 (2) 627 (2007)
DOI: 10.1051/0004-6361:20066053
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Unimolecular fragmentation and radiative cooling of isolated PAH ions: A quantitative study

Mark H. Stockett, James N. Bull, Jack T. Buntine, et al.
The Journal of Chemical Physics 153 (15) 154303 (2020)
DOI: 10.1063/5.0027773
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Absolute measurements of the double differential electronic emission cross-sections of isolated pyrene molecule (C16H10) in interaction with keV protons

M-C Ji, J-P Champeaux, P Moretto-Capelle, et al.
Journal of Physics B: Atomic, Molecular and Optical Physics 53 (22) 225207 (2020)
DOI: 10.1088/1361-6455/abaafc
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Alternating oligo(o,p-phenylenes) via ruthenium catalyzed diol–diene benzannulation: orthogonality to cross-coupling enables de novo nanographene and PAH construction

Zachary A. Kasun, Hiroki Sato, Jing Nie, et al.
Chemical Science 9 (40) 7866 (2018)
DOI: 10.1039/C8SC03236J
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A universal matter-wave interferometer with optical ionization gratings in the time domain

Philipp Haslinger, Nadine Dörre, Philipp Geyer, et al.
Nature Physics 9 (3) 144 (2013)
DOI: 10.1038/nphys2542
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Rationalization of photo-detachment spectra of the indenyl anion (C9H7−) from the perspective of vibronic coupling theory

Abhishek Kumar, Shweta Agrawal, T. Rajagopala Rao and Rudraditya Sarkar
Physical Chemistry Chemical Physics 21 (40) 22359 (2019)
DOI: 10.1039/C9CP04594E
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Exciton dynamics probed in carbon nanotube suspensions with narrow diameter distribution

Tobias Hertel, Zipeng Zhu, Jared Crochet, et al.
physica status solidi (b) 243 (13) 3186 (2006)
DOI: 10.1002/pssb.200669197
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Ultraviolet spectral reflectance of carbonaceous materials

Daniel M. Applin, Matthew R.M. Izawa, Edward A. Cloutis, et al.
Icarus 307 40 (2018)
DOI: 10.1016/j.icarus.2018.02.012
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Optical and magnetic properties of boron fullerenes

Silvana Botti, Alberto Castro, Nektarios N. Lathiotakis, Xavier Andrade and Miguel A. L. Marques
Physical Chemistry Chemical Physics 11 (22) 4523 (2009)
DOI: 10.1039/b902278c
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Laser desorption postionization for imaging MS of biological material

Artem Akhmetov, Jerry F. Moore, Gerald L. Gasper, Peter J. Koin and Luke Hanley
Journal of Mass Spectrometry 45 (2) 137 (2010)
DOI: 10.1002/jms.1716
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Carbon Nanotubes

Ying-Zhong Ma, Tobias Hertel, Zeev Valy Vardeny, Graham R. Fleming and Leonas Valkunas
Topics in Applied Physics, Carbon Nanotubes 111 321 (2007)
DOI: 10.1007/978-3-540-72865-8_10
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Delayed Relaxation of Highly Excited Cationic States in Naphthalene

Geert Reitsma, Johan Hummert, Judith Dura, et al.
The Journal of Physical Chemistry A 123 (14) 3068 (2019)
DOI: 10.1021/acs.jpca.8b10444
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Implications for Extraterrestrial Hydrocarbon Chemistry: Analysis of Acetylene (C2H2) and D2-acetylene (C2D2) Ices Exposed to Ionizing Radiation via Ultraviolet–Visible Spectroscopy, Infrared Spectroscopy, and Reflectron Time-of-flight Mass Spectrometry

Matthew J. Abplanalp and Ralf I. Kaiser
The Astrophysical Journal 889 (1) 3 (2020)
DOI: 10.3847/1538-4357/ab616c
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Modelling the absorption spectra of polycyclic aromatic hydrocarbons over Seoul, South Korea

Luís Pinto da Silva, Tiago B. Dias and Joaquim C.G. Esteves da Silva
Environmental Technology & Innovation 17 100536 (2020)
DOI: 10.1016/j.eti.2019.100536
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Coulomb Explosion in Nanosecond Laser Fields

Jie Zhang, Yuzhong Yao and Wei Kong
The Journal of Physical Chemistry Letters 11 (3) 1100 (2020)
DOI: 10.1021/acs.jpclett.0c00092
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THE ABUNDANCES OF HYDROCARBON FUNCTIONAL GROUPS IN THE INTERSTELLAR MEDIUM INFERRED FROM LABORATORY SPECTRA OF HYDROGENATED AND METHYLATED POLYCYCLIC AROMATIC HYDROCARBONS

M. Steglich, C. Jäger, F. Huisken, et al.
The Astrophysical Journal Supplement Series 208 (2) 26 (2013)
DOI: 10.1088/0067-0049/208/2/26
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Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies: Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons

Heidi H. Falden, Kasper R. Falster-Hansen, Keld L. Bak, Sten Rettrup and Stephan P. A. Sauer
The Journal of Physical Chemistry A 113 (43) 11995 (2009)
DOI: 10.1021/jp9037123
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Quantum confinement and size resolved modeling of electronic and optical properties of small soot particles

Kevin Wan, Xian Shi and Hai Wang
Proceedings of the Combustion Institute 38 (1) 1517 (2021)
DOI: 10.1016/j.proci.2020.07.145
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Characteristic IR C═C Stretch Enhancement in Monolayers by Nonconjugated, Noncumulated Unsaturated Bonds

Michael V. Lee, Dominik Enders, Tadaaki Nagao and Katsuhiko Ariga
Langmuir 26 (7) 4594 (2010)
DOI: 10.1021/la1001418
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Photostability via Sloped Conical Intersections: A Computational Study of the Pyrene Radical Cation

Andrei M. Tokmachev, Martial Boggio-Pasqua, Michael J. Bearpark and Michael A. Robb
The Journal of Physical Chemistry A 112 (43) 10881 (2008)
DOI: 10.1021/jp8044109
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