-
1
-
-
0031290213
-
Spectroscopic properties of polycyclic aromatic hydrocarbons (PAHS) and astrophysical implications
-
7, Life Sciences: Complex Organics in Space
-
D'Hendecourt L, Ehrenfreund P (1997) Spectroscopic properties of polycyclic aromatic hydrocarbons (PAHS) and astrophysical implications. Adv Space Res 19:1023-1032 (7, Life Sciences: Complex Organics in Space).
-
(1997)
Adv Space Res
, vol.19
, pp. 1023-1032
-
-
D'Hendecourt, L.1
Ehrenfreund, P.2
-
2
-
-
34248354750
-
Charged polycyclic aromatic hydrocarbon clusters and the galactic extended red emission
-
DOI 10.1073/pnas.0609396104
-
Rhee YM, Lee TJ, Gudipati MS, Allamandola LJ, Head-Gordon M (2007) Charged polycyclic aromatic hydrocarbon clusters and the galactic extended red emission. Proc Natl Acad Sci USA 104:5274-5278. (Pubitemid 47175670)
-
(2007)
Proceedings of the National Academy of Sciences of the United States of America
, vol.104
, Issue.13
, pp. 5274-5278
-
-
Young, M.R.1
Lee, T.J.2
Gudipati, M.S.3
Allamandola, L.J.4
Head-Gordon, M.5
-
4
-
-
70349184598
-
The infrared spectrum of protonated naphthalene and its relevance for the unidentified infrared bands
-
Ricks AM, Douberly GE, Duncan MA (2009) The infrared spectrum of protonated naphthalene and its relevance for the unidentified infrared bands. Astrophys J 702:301-306.
-
(2009)
Astrophys J
, vol.702
, pp. 301-306
-
-
Ricks, A.M.1
Douberly, G.E.2
Duncan, M.A.3
-
5
-
-
0001025561
-
Polycyclic aromatic hydrocarbons and the diffuse interstellar bands. A survey
-
Salama F, Galazutdinov GA, Krelowski J, Allamandola LJ, Musaev FA (1999) Polycyclic aromatic hydrocarbons and the diffuse interstellar bands. A survey. Astrophys J 526:265-273.
-
(1999)
Astrophys J
, vol.526
, pp. 265-273
-
-
Salama, F.1
Galazutdinov, G.A.2
Krelowski, J.3
Allamandola, L.J.4
Musaev, F.A.5
-
6
-
-
33750600733
-
Polycyclic aromatic hydrocarbons, carbon nanoparticles and the diffuse interstellar bands
-
Chemical Evolution of the Universe
-
Duley WW (2006) Polycyclic aromatic hydrocarbons, carbon nanoparticles and the diffuse interstellar bands. Faraday Discuss 133:415-425 (Chemical Evolution of the Universe).
-
(2006)
Faraday Discuss
, vol.133
, pp. 415-425
-
-
Duley, W.W.1
-
7
-
-
33750603551
-
Carbon molecules in space: From astrochemistry to astrobiology
-
DOI 10.1039/b517676j
-
Ehrenfreund P, Sephton MA (2006) Carbon molecules in space: From astrochemistry to astrobiology. Faraday Discuss 133:277-288 (Chemical Evolution of the Universe). (Pubitemid 44684584)
-
(2006)
Faraday Discussions
, vol.133
, pp. 277-288
-
-
Ehrenfreund, P.1
Sephton, M.A.2
-
9
-
-
0001759830
-
A new component of the interstellar matter: Small grains and large aromatic molecules
-
Puget JL, Leger A (1989) A new component of the interstellar matter: small grains and large aromatic molecules. Annu Rev Astron Astr 27:161-198.
-
(1989)
Annu Rev Astron Astr
, vol.27
, pp. 161-198
-
-
Puget, J.L.1
Leger, A.2
-
10
-
-
77649239491
-
High molecular diversity of extraterrestrial organic matter in Murchison meteorite revealed 40 years after its fall
-
Schmitt-Kopplin P, et al. (2010) High molecular diversity of extraterrestrial organic matter in Murchison meteorite revealed 40 years after its fall. Proc Natl Acad Sci USA 107:2763-2768.
-
(2010)
Proc Natl Acad Sci USA
, vol.107
, pp. 2763-2768
-
-
Schmitt-Kopplin, P.1
-
11
-
-
53849102574
-
Interstellar polycyclic aromatic hydrocarbon molecules
-
Tielens AGGM (2008) Interstellar polycyclic aromatic hydrocarbon molecules. Annu Rev Astron Astr 46:289-337.
-
(2008)
Annu Rev Astron Astr
, vol.46
, pp. 289-337
-
-
Tielens, A.1
-
12
-
-
33747601731
-
The chemistry in circumstellar envelopes of evolved stars: Following the origin of the elements to the origin of life
-
Ziurys LM (2006) The chemistry in circumstellar envelopes of evolved stars: following the origin of the elements to the origin of life. Proc Natl Acad Sci USA 103:12274-12279.
-
(2006)
Proc Natl Acad Sci USA
, vol.103
, pp. 12274-12279
-
-
Ziurys, L.M.1
-
13
-
-
83455216738
-
The formation of polycyclic aromatic hydrocarbons in evolved circumstellar environments
-
PAHs and the Universe
-
Cherchneff I (2011) The formation of polycyclic aromatic hydrocarbons in evolved circumstellar environments. EAS Publications 46:177-189 (PAHs and the Universe).
-
(2011)
EAS Publications
, vol.46
, pp. 177-189
-
-
Cherchneff, I.1
-
15
-
-
14844309703
-
Alkylation of polycyclic aromatic hydrocarbons in carbonaceous chondrites
-
DOI 10.1016/j.gca.2004.09.009, PII S0016703704006982
-
Elsila JE, De Leon NP, Buseck PR, Zare RN (2005) Alkylation of polycyclic aromatic hydrocarbons in carbonaceous chondrites. Geochim Cosmochim Acta 69:1349-1357. (Pubitemid 40350722)
-
(2005)
Geochimica et Cosmochimica Acta
, vol.69
, Issue.5
, pp. 1349-1357
-
-
Elsila, J.E.1
De Leon, N.P.2
Buseck, P.R.3
Zare, R.N.4
-
16
-
-
57449112135
-
Laser mass spectrometric detection of extraterrestrial aromatic molecules: Mini-review and examination of pulsed heating effects
-
S18096/18091-S18096/18099
-
Spencer MK, Hammond MR, Zare RN (2008) Laser mass spectrometric detection of extraterrestrial aromatic molecules: mini-review and examination of pulsed heating effects. Proc Natl Acad Sci USA 105:18096-18101 S18096/18091-S18096/ 18099.
-
(2008)
Proc Natl Acad Sci USA
, vol.105
, pp. 18096-18101
-
-
Spencer, M.K.1
Hammond, M.R.2
Zare, R.N.3
-
17
-
-
0033997916
-
Kinetic modeling of soot formation with detailed chemistry and physics: Laminar premixed flames of C2 hydrocarbons
-
Appel J, Bockhorn H, Frenklach M (2000) Kinetic modeling of soot formation with detailed chemistry and physics: laminar premixed flames of C2 hydrocarbons. Combust Flame 121:122-136.
-
(2000)
Combust Flame
, vol.121
, pp. 122-136
-
-
Appel, J.1
Bockhorn, H.2
Frenklach, M.3
-
18
-
-
0000145678
-
Formation of polycyclic aromatic hydrocarbons in circumstellar envelopes
-
Frenklach M, Feigelson ED (1989) Formation of polycyclic aromatic hydrocarbons in circumstellar envelopes. Astrophys J 341:372-384.
-
(1989)
Astrophys J
, vol.341
, pp. 372-384
-
-
Frenklach, M.1
Feigelson, E.D.2
-
19
-
-
0006938263
-
Calculations of rate coefficients for the chemically activated reactions of acetylene with vinylic and aromatic radicals
-
Wang H, Frenklach M (1994) Calculations of rate coefficients for the chemically activated reactions of acetylene with vinylic and aromatic radicals. J Phys Chem 98:11465-11489.
-
(1994)
J Phys Chem
, vol.98
, pp. 11465-11489
-
-
Wang, H.1
Frenklach, M.2
-
20
-
-
11944274811
-
Polycyclic aromatic hydrocarbon formation in carbon-rich stellar envelopes
-
Cherchneff I, Barker JR, Tielens AGGM (1992) Polycyclic aromatic hydrocarbon formation in carbon-rich stellar envelopes. Astrophys J 401:269-287.
-
(1992)
Astrophys J
, vol.401
, pp. 269-287
-
-
Cherchneff, I.1
Barker, J.R.2
Tielens, A.3
-
21
-
-
0030955631
-
A detailed kinetic modeling study of aromatics formation in laminar premixed acetylene and ethylene flames
-
DOI 10.1016/S0010-2180(97)00068-0, PII S0010218097000680
-
Wang H, Frenklach M (1997) A detailed kinetic modeling study of aromatics formation in laminar premixed acetylene and ethylene flames. Combust Flame 110:173-221. (Pubitemid 27273036)
-
(1997)
Combustion and Flame
, vol.110
, Issue.1-2
, pp. 173-221
-
-
Wang, H.1
Frenklach, M.2
-
22
-
-
78650870235
-
Experimental and modeling investigation on premixed ethylbenzene flames at low pressure
-
Li Y, et al. (2011) Experimental and modeling investigation on premixed ethylbenzene flames at low pressure. Proceedings of the Combustion Institute 33:617-624.
-
(2011)
Proceedings of the Combustion Institute
, vol.33
, pp. 617-624
-
-
Li, Y.1
-
23
-
-
84937563414
-
Ab initio study of naphthalene formation by addition of vinylacetylene to phenyl
-
Moriarty NW, Frenklach M (2000) Ab initio study of naphthalene formation by addition of vinylacetylene to phenyl. Proceedings of the Combustion Institute 28:2563-2568.
-
(2000)
Proceedings of the Combustion Institute
, vol.28
, pp. 2563-2568
-
-
Moriarty, N.W.1
Frenklach, M.2
-
24
-
-
79958100844
-
Theoretical study of the formation of naphthalene from the radical - Bond addition between single-ring aromatic hydrocarbons
-
Comandini A, Brezinsky K (2011) Theoretical study of the formation of naphthalene from the radical - bond addition between single-ring aromatic hydrocarbons. J Phys Chem A 115:5547-5559.
-
(2011)
J Phys Chem A
, vol.115
, pp. 5547-5559
-
-
Comandini, A.1
Brezinsky, K.2
-
25
-
-
0036000588
-
The effects of slight premixing on fuel decomposition and hydrocarbon growth in benzene-doped methane nonpremixed flames
-
DOI 10.1016/S0010-2180(02)00347-4, PII S0010218002003474
-
McEnally CS, Pfefferle LD (2002) The effects of slight premixing on fuel decomposition and hydrocarbon growth in benzene-doped methane nonpremixed flames. Combust Flame 129:305-323. (Pubitemid 34555412)
-
(2002)
Combustion and Flame
, vol.129
, Issue.3
, pp. 305-323
-
-
McEnally, C.S.1
Pfefferle, L.D.2
-
26
-
-
66749136155
-
Evidence for the naphthalene cation in a region of the interstellar medium with anomalous microwave emission
-
Iglesias-Groth S, Manchado A, Garcia-Hernandez DA, Gonzalez Hernandez JI, Lambert DL (2008) Evidence for the naphthalene cation in a region of the interstellar medium with anomalous microwave emission. Astrophys J 685:L55-L58.
-
(2008)
Astrophys J
, vol.685
-
-
Iglesias-Groth, S.1
Manchado, A.2
Garcia-Hernandez, D.A.3
Gonzalez Hernandez, J.I.4
Lambert, D.L.5
-
27
-
-
77149151209
-
Polycyclic aromatic hydrocarbon processing in a hot gas
-
Micelotta ER, Jones AP, Tielens AGGM (2010) Polycyclic aromatic hydrocarbon processing in a hot gas. Astron Astrophys 510:A37/1-A37/14.
-
(2010)
Astron Astrophys
, vol.510
-
-
Micelotta, E.R.1
Jones, A.P.2
Tielens, A.3
-
28
-
-
77149151209
-
Polycyclic aromatic hydrocarbon processing in interstellar shocks
-
Micelotta ER, Jones AP, Tielens AGGM (2010) Polycyclic aromatic hydrocarbon processing in interstellar shocks. Astron Astrophys 510:A36/1-A36/14.
-
(2010)
Astron Astrophys
, vol.510
-
-
Micelotta, E.R.1
Jones, A.P.2
Tielens, A.3
-
29
-
-
78650463929
-
Polycyclic aromatic hydrocarbon processing by cosmic rays
-
Micelotta ER, Jones AP, Tielens AGGM (2011) Polycyclic aromatic hydrocarbon processing by cosmic rays. Astron Astrophys 526:A52/1-A52/17.
-
(2011)
Astron Astrophys
, vol.526
-
-
Micelotta, E.R.1
Jones, A.P.2
Tielens, A.3
-
30
-
-
84860245325
-
PAH evolution in the harsh environment of the ISM
-
PAHs and the Universe
-
Kaneda H, et al. (2011) PAH evolution in the harsh environment of the ISM. EAS Publications 46:157-168 (PAHs and the Universe).
-
(2011)
EAS Publications
, vol.46
, pp. 157-168
-
-
Kaneda, H.1
-
31
-
-
0040621820
-
Mid-infrared spectra of WC 9 stars: The composition of circumstellar and interstellar dust
-
Cohen M, Tielens AGGM, Bregman JD (1989) Mid-infrared spectra of WC 9 stars: the composition of circumstellar and interstellar dust. Astrophys J 344:L13-L16.
-
(1989)
Astrophys J
, vol.344
-
-
Cohen, M.1
Tielens, A.2
Bregman, J.D.3
-
32
-
-
68049118335
-
A search for carbon-chain-rich cores in dark clouds
-
Hirota T, Ohishi M, Yamamoto S (2009) A search for carbon-chain-rich cores in dark clouds. Astrophys J 699:585-602.
-
(2009)
Astrophys J
, vol.699
, pp. 585-602
-
-
Hirota, T.1
Ohishi, M.2
Yamamoto, S.3
-
33
-
-
78649517670
-
Untangling the chemical evolution of Titan's atmosphere and surface-from homogeneous to heterogeneous chemistry
-
Chemistry of the Planets
-
Kaiser RI, et al. (2010) Untangling the chemical evolution of Titan's atmosphere and surface-from homogeneous to heterogeneous chemistry. Faraday Discuss 147:429-478 (Chemistry of the Planets).
-
(2010)
Faraday Discuss
, vol.147
, pp. 429-478
-
-
Kaiser, R.I.1
-
36
-
-
33750440632
-
Hydrogen abstraction acetylene addition and Diels-Alder mechanisms of PAH formation: A detailed study using first principles calculations
-
Kislov VV, Islamova NI, Kolker AM, Lin SH, Mebel AM (2005) Hydrogen abstraction acetylene addition and Diels-Alder mechanisms of PAH formation: a detailed study using first principles calculations. J Chem Theory Comput 1(5):908-924.
-
(2005)
J Chem Theory Comput
, vol.1
, Issue.5
, pp. 908-924
-
-
Kislov, V.V.1
Islamova, N.I.2
Kolker, A.M.3
Lin, S.H.4
Mebel, A.M.5
-
37
-
-
8744259548
-
Combined quantum chemical/RRKM-ME computational study of the phenyl + ethylene, vinyl + benzene, and h + styrene reactions
-
Tokmakov IV, Lin MC (2004) Combined quantum chemical/RRKM-ME computational study of the phenyl + ethylene, vinyl + benzene, and h + styrene reactions. J Phys Chem A 108:9697-9714.
-
(2004)
J Phys Chem A
, vol.108
, pp. 9697-9714
-
-
Tokmakov, I.V.1
Lin, M.C.2
-
38
-
-
33750583691
-
The temperature-dependence of rapid low temperature reactions: Experiment, understanding and prediction
-
DOI 10.1039/b600721j
-
Smith IWM, Sage AM, Donahue NM, Herbst E, Quan D (2006) The temperature-dependence of rapid low temperature reactions: experiment, understanding and prediction. Faraday Discuss 133:137-156 (Chemical Evolution of the Universe). (Pubitemid 44684578)
-
(2006)
Faraday Discussions
, vol.133
, pp. 137-156
-
-
Smith, I.W.M.1
Sage, A.M.2
Donahue, N.M.3
Herbst, E.4
Quan, D.5
-
39
-
-
84964292705
-
A theoretical and experimental kinetic study of phenyl radical addition to butadiene
-
Ismail H, Park J, Wong BM, Green WH, Lin MC (2005) A theoretical and experimental kinetic study of phenyl radical addition to butadiene. Proceedings of the Combustion Institute, 30 pp:1049-1056.
-
(2005)
Proceedings of the Combustion Institute
, vol.30
, pp. 1049-1056
-
-
Ismail, H.1
Park, J.2
Wong, B.M.3
Green, W.H.4
Lin, M.C.5
-
40
-
-
0000686838
-
Photodestruction of PAHs in the interstellar medium: I. Photodissociation rates for the loss of an acetylenic group
-
Allain T, Leach S, Sedlmayr E (1996) Photodestruction of PAHs in the interstellar medium. I. Photodissociation rates for the loss of an acetylenic group. Astron Astrophys 305:602-615. (Pubitemid 126626034)
-
(1996)
Astronomy and Astrophysics
, vol.305
, Issue.2
, pp. 602-615
-
-
Allain, T.1
Leach, S.2
Sedlmayr, E.3
-
41
-
-
26844461080
-
Photodissociation of azulene at 193 nm: Ab initio and RRKM study
-
DOI 10.1021/jp053218m
-
Dyakov YA, Ni CK, Lin SH, Lee YT, Mebel AM (2005) Photodissociation of Azulene at 193 nm: Ab Initio and RRKM Study. J Phys Chem A 109:8774-8784. (Pubitemid 41464132)
-
(2005)
Journal of Physical Chemistry A
, vol.109
, Issue.39
, pp. 8774-8784
-
-
Dyakov, Y..A.1
Ni, C.-K.2
Lin, S.H.3
Lee, Y.T.4
Mebel, A.M.5
-
43
-
-
0037314591
-
The millimeter-wave spectrum and the dipole moment of vinylacetylene
-
Thorwirth S, Lichau H (2003) The millimeter-wave spectrum and the dipole moment of vinylacetylene. Astron Astrophys 398:L11-L13.
-
(2003)
Astron Astrophys
, vol.398
-
-
Thorwirth, S.1
Lichau, H.2
-
44
-
-
70349180835
-
An experimental and theoretical study of toluene pyrolysis with tunable synchrotron VUV photoionization and molecular-beam mass spectrometry
-
Zhang T, et al. (2009) An experimental and theoretical study of toluene pyrolysis with tunable synchrotron VUV photoionization and molecular-beam mass spectrometry. Combust Flame 156:2071-2083.
-
(2009)
Combust Flame
, vol.156
, pp. 2071-2083
-
-
Zhang, T.1
-
45
-
-
79551707917
-
Formation of benzene in the interstellar medium
-
Jones BM, et al. (2011) Formation of benzene in the interstellar medium. Proc Natl Acad Sci USA 108:452-457 S452/451-S452/457.
-
(2011)
Proc Natl Acad Sci USA
, vol.108
-
-
Jones, B.M.1
-
46
-
-
0035578204
-
Dissociation rates of benzene at VUV excitation
-
DOI 10.1063/1.1423945
-
Hsu TC, et al. (2001) Dissociation rates of benzene at VUV excitation. J Chem Phys 115:9623-9626. (Pubitemid 33147324)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.21
, pp. 9623-9626
-
-
Hsu, T.C.1
Shu, J.2
Chen, Y.3
Lin, J.J.4
Lee, Y.T.5
Yang, X.6
-
47
-
-
21744441599
-
The formation of large hydrocarbons and carbon clusters in dense interstellar clouds
-
Bettens RPA, Herbst E (1997) The formation of large hydrocarbons and carbon clusters in dense interstellar clouds. Astrophys J 478:585-593.
-
(1997)
Astrophys J
, vol.478
, pp. 585-593
-
-
Bettens, R.P.A.1
Herbst, E.2
-
48
-
-
46249098783
-
Polycyclic aromatic hydrocarbons in dense cloud chemistry
-
Wakelam V, Herbst E (2008) Polycyclic aromatic hydrocarbons in dense cloud chemistry. Astrophys J 680:371-383.
-
(2008)
Astrophys J
, vol.680
, pp. 371-383
-
-
Wakelam, V.1
Herbst, E.2
-
49
-
-
69549122833
-
An infrared spectroscopic study of amorphous and crystalline ices of vinylacetylene and implications for saturn's satellite titan
-
Kim YS, Kaiser RI (2009) An infrared spectroscopic study of amorphous and crystalline ices of vinylacetylene and implications for saturn's satellite titan. Astrophys J Suppl S 181:543-547.
-
(2009)
Astrophys J Suppl S
, vol.181
, pp. 543-547
-
-
Kim, Y.S.1
Kaiser, R.I.2
-
50
-
-
0000189651
-
Density-functional thermochemistry. III. The role of exact exchange
-
Becke AD (1993) Density-functional thermochemistry. III. The role of exact exchange. J Chem Phys 98:5648-5652.
-
(1993)
J Chem Phys
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
51
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
Lee C, Yang W, Parr RG (1988) Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys Rev B 37:785-789.
-
(1988)
Phys Rev B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
52
-
-
0000543185
-
Gaussian-3 theory using density functional geometries and zero-point energies
-
Baboul AG, Curtiss LA, Redfern PC, Raghavachari K (1999) Gaussian-3 theory using density functional geometries and zero-point energies. J Chem Phys 110:7650-7657.
-
(1999)
J Chem Phys
, vol.110
, pp. 7650-7657
-
-
Baboul, A.G.1
Curtiss, L.A.2
Redfern, P.C.3
Raghavachari, K.4
-
53
-
-
0001273491
-
Gaussian-3 theory using coupled cluster energies
-
PII S0009261499011264
-
Curtiss LA, Raghavachari K, Redfern PC, Baboul AG, Pople JA (1999) Gaussian-3 theory using coupled cluster energies. Chem Phys Lett 314:101-107. (Pubitemid 129556745)
-
(1999)
Chemical Physics Letters
, vol.314
, Issue.1-2
, pp. 101-107
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Baboul, A.G.4
Pople, J.A.5
-
54
-
-
0012154673
-
Gaussian-3 (G3) theory for molecules containing first and second-row atoms
-
DOI 10.1063/1.477422, PII S0021960698306406
-
Curtiss LA, Raghavachari K, Redfern PC, Rassolov V, Pople JA (1998) Gaussian-3 (G3) theory for molecules containing first and second-row atoms. J Chem Phys 109:7764-7776. (Pubitemid 128678347)
-
(1998)
Journal of Chemical Physics
, vol.109
, Issue.18
, pp. 7764-7776
-
-
Curtiss, L.A.1
Raghavach, A.K.2
Redfern, P.C.3
Rassolov, V.4
Pople, J.A.5
-
56
-
-
33747615553
-
-
University College Cardiff Consultants Ltd, United Kingdom
-
Werner H-J (2006) MOLPRO, version 2006.1 (University College Cardiff Consultants Ltd, United Kingdom).
-
(2006)
MOLPRO, Version 2006.1
-
-
Werner, H.-J.1
|