Citations

Please use the appropriate citations when publishing results using these data and/or tools.

  1. Principal
  2. Individual
    1. Theoretical
    2. Experimental
    3. Clusters/theoretical
    4. Clusters/experimental
  3. Software
    1. pypahdb
  1. Principal:

    C.W. Bauschlicher, Jr., A. Ricca, C. Boersma, L.J. Allamandola, "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: COMPUTATIONAL VERSION 3.00 WITH UPDATED CONTENT AND THE INTRODUCTION OF MULTIPLE SCALING FACTORS", The Astrophysical Journal Supplement Series, 234, 32, 2018 10.3847/1538-4365/aaa019 — BibTeX - RIS

    C. Boersma, C.W. Bauschlicher, Jr., A. Ricca, A.L. Mattioda, J. Cami, E. Peeters, F. Sánchez de Armas, G. Puerta Saborido, D.M. Hudgins, and L.J. Allamandola, "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE VERSION 2.00: UPDATED CONTENT, WEBSITE AND ON/OFFLINE TOOLS", The Astrophysical Journal Supplement Series, 211, 8, 2014 10.1088/0067-0049/211/1/8 — BibTeX - RIS

    C.W. Bauschlicher, Jr., C. Boersma, A. Ricca, A.L. Mattioda, J. Cami, E. Peeters, F. Sánchez de Armas, G. Puerta Saborido, D.M. Hudgins, and L.J. Allamandola, "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: THE COMPUTED SPECTRA", The Astrophysical Journal Supplement Series, 189, 341, 2010 10.1088/0067-0049/189/2/341 — BibTeX - RIS

    Mattioda, A. L., Hudgins, D. M., Boersma, C., Ricca, A., Peeters, E., Cami, J., Sánchez de Armas, F., Puerta Saborido, G., Bauschlicher, C. W., J., and Allamandola, L. J. "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: THE LABORATORY SPECTRA", The Astrophysical Journal Supplement Series, 251, 22, 2020 10.3847/1538-4365/abc2c8 — BibTeX - RIS

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  2. Individual:
    1. Theoretical:

      Langhoff, S.R., "THEORETICAL INFRARED SPECTRA FOR POLYCYCLIC AROMATIC HYDROCARBON NEUTRALS, CATIONS, AND ANIONS", 1996, J. Phys. Chem., 100, 2819 10.1021/jp952074g — BibTeX - RIS — PAHs

      Bauschlicher, C.W., Langhoff, S.R., "THE CALCULATION OF ACCURATE HARMONIC FREQUENCIES OF LARGE MOLECULES: THE POLYCYCLIC AROMATIC HYDROCARBONS, A CASE STUDY", 1997, Spectrochim. Acta A, 53, 1225 10.1016/s1386-1425(97)00022-x — BibTeX - RIS — PAHs

      Bauschlicher, Jr., C.W., Langhoff, S.R., Sandford, S.A., Hudgins, D.M., "INFRARED SPECTRA OF PERDEUTERATED NAPHTHALENE, PHENANTHRENE, CHRYSENE, AND PYRENE", 1997, J. Phys. Chem. A, 101, 2414 10.1021/jp963740w — BibTeX - RIS — PAHs

      Bauschlicher, Jr., C.W., Langhoff, S.R., "INFRARED SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS: METHYL SUBSTITUTION AND LOSS OF H", 1998, Chem. Phys., 234, 79 10.1016/s0301-0104(98)00140-2 — BibTeX - RIS — PAHs

      Bauschlicher, Jr., C.W., "INFRARED SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS: NITROGEN SUBSTITUTION", 1998, Chem. Phys., 234, 87 10.1016/s0301-0104(98)00139-6 — BibTeX - RIS — PAHs

      Bauschlicher, Jr., C.W., "INFRARED SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS: OXYGEN SUBSTITUTION", 1998, Chem. Phys., 233, 29 10.1016/s0301-0104(98)00143-8 — BibTeX - RIS — PAHs

      Langhoff, S.R., Bauschlicher, Jr., C.W., Hudgins, D.M., Sandford, S.A., Allamandola, L.J., "INFRARED SPECTRA OF SUBSTITUTED POLYCYCLIC AROMATIC HYDROCARBONS", 1998, J. Phys. Chem. A, 102, 1632 10.1021/jp9731563 — BibTeX - RIS — PAHs

      Bauschlicher, Jr., C.W., Hudgins, D.M., Allamandola, L.J., "THE INFRARED SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS CONTAINING A FIVE-MEMBERED RING: SYMMETRY BREAKING AND THE B3LYP FUNCTIONAL", 1999, Theor. Chem. Acc., 103, 154 10.1007/s002140050526 — BibTeX - RIS — PAHs

      Hudgins, D.M., Bauschlicher, Jr., C.W., Allamandola, L.J., Fetzer, J.C., "INFRARED SPECTROSCOPY OF MATRIX ISOLATED POLYCYCLIC AROMATIC HYDROCARBON IONS. 5. PAHS INCORPORATING A CYCLOPENTADIENYL RING", 2000, J. Phys. Chem. A, 104, 3655 10.1021/jp993940i — BibTeX - RIS — PAHs

      Bauschlicher, Jr., C.W., Bakes, E.L.O., "INFRARED SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS (PAHS)", 2000, Chem. Phys., 262, 285 10.1016/s0301-0104(00)00310-4 — BibTeX - RIS — PAHs

      Hudgins, D.M., Bauschlicher, C.W., Allamandola, L.J., "CLOSED-SHELL POLYCYCLIC AROMATIC HYDROCARBON CATIONS: A NEW CATEGORY OF INTERSTELLAR POLYCYCLIC AROMATIC HYDROCARBONS", 2001, Spectrochimica Acta A, 57, 907 10.1016/s1386-1425(00)00453-4 — BibTeX - RIS — PAHs

      Bauschlicher, Jr., C.W., "THE INFRARED SPECTRA OF C₉₆Hâ‚‚â‚„, C₉₆H₂₄⁺, AND C₉₆H₂₅⁺", 2002, ApJ, 564, 782 10.1007/s00214-014-1454-0 — BibTeX - RIS — PAHs

      Mattioda, A.L., Hudgins, D.M., Bauschlicher, C.W., Rosi, M., Allamandola, L.J., "INFRARED SPECTROSCOPY OF MATRIX-ISOLATED POLYCYCLIC AROMATIC COMPOUNDS AND THEIR IONS. 6. POLYCYCLIC AROMATIC NITROGEN HETEROCYCLES", 2003, J. Phys. Chem. A, 107, 1486 10.1021/jp021938c — BibTeX - RIS — PAHs

      Hudgins, D.M., Bauschlicher, Jr., C.W., Allamandola, L.J., "VARIATIONS IN THE PEAK POSITION OF THE 6.2 µM INTERSTELLAR EMISSION FEATURE: A TRACER OF N IN THE INTERSTELLAR POLYCYCLIC AROMATIC HYDROCARBON POPULATION", 2005, ApJ, 632, 316 10.1086/432495 — BibTeX - RIS — PAHs

      Mattioda, A.L., Hudgins, D.M., Bauschlicher, Jr., C.W., Allamandola, L.J., "INFRARED SPECTROSCOPY OF MATRIX-ISOLATED POLYCYCLIC AROMATIC COMPOUNDS AND THEIR IONS. 7. PHENAZINE, A DUAL SUBSTITUTED POLYCYCLIC AROMATIC NITROGEN HETEROCYCLES", 2005, Adv. Space Res., 36, 156 10.1016/j.asr.2005.03.127 — BibTeX - RIS — PAHs

      Bauschlicher, Jr., C.W., Peeters, E., Allamandola, L.J., "THE INFRARED SPECTRA OF VERY LARGE, COMPACT, HIGHLY SYMMETRIC, POLYCYCLIC, AROMATIC HYDROCARBONS (PAHS)", 2008, ApJ, 678, 316 10.1086/533424 — BibTeX - RIS 10.1086/533424 — BibTeX - RIS — PAHs

      Bauschlicher, Jr., C.W., Peeters, E., Allamandola, L.J., "THE INFRARED SPECTRA OF VERY LARGE IRREGULAR POLYCYCLIC AROMATIC HYDROCARBONS (PAHS): OBSERVATIONAL PROBES OF ASTRONOMICAL PAH GEOMETRY, SIZE AND CHARGE", 2009, ApJ, 697, 311 10.1088/0004-637x/697/1/311 — BibTeX - RIS — PAHs

      Ricca, A., Bauschlicher, Jr., C.W., Mattioda, A.L., Boersma, C., Allamandola, L.J., "THE FAR-INFRARED SPECTROSCOPY OF VERY LARGE NEUTRAL POLYCYCLIC AROMATIC HYDROCARBONS", 2010, ApJ, 709, 42 10.1088/0004-637x/709/1/42 — BibTeX - RIS — PAHs

      Bauschlicher, Jr., C.W., Ricca, A., "THE FAR-INFRARED EMISSION FROM THE MG⁺-PAH SPECIES", 2009, ApJ, 698, 275 10.1088/0004-637x/698/1/275 — BibTeX - RIS — PAHs

      Bauschlicher, Jr., C.W., "FE⁺- AND MG⁺ POLYCYCLIC AROMATIC HYDROCARBON COMPLEXES", 2009, Mol. Phys., 107, 809 10.1080/00268970802649609 — BibTeX - RIS — PAHs

      Ricca, A., Bauschlicher, Jr., C.W., Allamandola, L.J., "PROTONATED POLYCYCLIC AROMATIC HYDROCARBONS REVISITED", 2011, ApJ, 727, 128 10.1088/0004-637x/727/2/128 — BibTeX - RIS — PAHs

      Ricca, A., Bauschlicher, Jr., C.W., Allamandola, L.J., "THE INFRARED SPECTROSCOPY OF PAHS WITH FIVE AND SEVEN-MEMBERED FUSED RING DEFECTS", 2011, ApJ, 729, 94 10.1088/0004-637x/729/2/94 — BibTeX - RIS — PAHs

      Ricca, A., Bauschlicher, Jr., C.W., Boersma, C., Tielens, A.G.G.M., Allamandola, L.J., "THE INFRARED SPECTROSCOPY OF COMPACT POLYCYCLIC AROMATIC HYDROCARBONS CONTAINING UP TO 384 CARBONS", 2012, ApJ, 754, 75 10.1088/0004-637x/754/1/75 — BibTeX - RIS — PAHs

      Bauschlicher, C.W., Ricca, A., "THE INFRARED SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS WITH SOME OR ALL HYDROGEN ATOMS REMOVED", 2013, ApJ, 776, 102 10.1088/0004-637x/776/2/102 — BibTeX - RIS — PAHs

      Bauschlicher, Jr., C.W., Ricca, A., "THE INFRARED SPECTRA OF C₉₆Hâ‚‚â‚… COMPARED WITH THAT OF C₉₆Hâ‚‚â‚„", 2014, Theo. Chem. Acc., 133, 1454 10.1007/s00214-014-1454-0 — BibTeX - RIS — PAHs

      Peeters, E., Allamandola, L.J., Tielens, A.G.G.M., Wolfire, M.G., Bauschlicher, C.W., Ricca, A., "THE PAH EMISSION CHARACTERISTICS OF THE REFLECTION NEBULA NGC 2023", 2017, ApJ, 836, 198 10.3847/1538-4357/836/2/198 — BibTeX - RIS — PAHs

      Mattioda, A.L., Bauschlicher, Jr., C.W., Bregman, J., Hudgins, D.M., Allamandola, L.J., Ricca, A., "INFRARED VIBRATIONAL AND ELECTRONIC TRANSITIONS IN THE DIBENZOPOLYACENE FAMILY", 2014, Spectrochim. Acta A, 130, 639 10.1016/j.saa.2014.04.017 — BibTeX - RIS — PAHs

      Bauschlicher, C.W., "THE INFRARED SPECTRA OF NONPLANAR POLYCYCLIC AROMATIC HYDROCARBONS WITH FIVE- OR SEVEN-MEMBERED RINGS", 2015, Chem. Phys., 448, 43 10.1016/j.chemphys.2015.01.002 — BibTeX - RIS — PAHs

      Bauschlicher, Jr., C.W., "THE INFRARED SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS WITH CNHM SIDE GROUPS", 2016, Chem. Phys., 465, 17 10.1016/j.chemphys.2015.12.001 — BibTeX - RIS — PAHs

      Mattioda, A.L., Bauschlicher, Jr., C.W., Ricca, A., Bregman, J., Hudgins, D.M., Allamandola, L.J., "INFRARED SPECTROSCOPY OF MATRIX-ISOLATED NEUTRAL POLYCYCLIC AROMATIC NITROGEN HETEROCYCLES: THE ACRIDINE SERIES", 2017, Spectrochim. Acta A, 181, 286 10.1016/j.saa.2017.03.044 — BibTeX - RIS — PAHs

      Bauschlicher, Jr., C.W., Ricca, A., "LOSS OF A Câ‚‚HN FRAGMENT FROM PYRENE AND CIRCUMCORONENE", 2014, Theo. Chem. Acc., 133, 1479 10.1007/s00214-014-1479-4 — BibTeX - RIS — PAHs

      Mackie, C.J., Peeters, E., Bauschlicher, Jr., C.W., Cami, J., "CHARACTERIZING THE INFRARED SPECTRA OF SMALL, NEUTRAL, FULLY DEHYDROGENATED POLYCYCLIC AROMATIC HYDROCARBONS", 2015, ApJ, 799, 131 10.1088/0004-637x/799/2/131 — BibTeX - RIS — PAHs

      Ricca, A., Bauschlicher, Jr., C.W., Roser, J.E., Peeters, E., "POLYCYCLIC AROMATIC HYDROCARBONS WITH STRAIGHT EDGES AND THE 7.6/6.2 AND 8.6/6.2 INTENSITY RATIOS IN REFLECTION NEBULAE", 2018, ApJ, 854, 115 10.3847/1538-4357/aaa757 — BibTeX - RIS — PAHs

      Ricca, A., Roser, J.E., Peeters, E., Boersma, C., "POLYCYCLIC AROMATIC HYDROCARBONS WITH ARMCHAIR EDGES: POTENTIAL EMITTERS IN CLASS B SOURCES ", 2019, ApJ, 882, 56 10.3847/1538-4357/ab3124 — BibTeX - RIS — PAHs

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    2. Experimental:

      Hudgins, D.M., Allamandola, L.J., "INFRARED SPECTROSCOPY OF MATRIX-ISOLATED POLYCYCLIC AROMATIC HYDROCARBON CATIONS 2: THE MEMBERS OF THE THERMODYNAMICALLY MOST FAVORABLE SERIES THROUGH CORONENE", 1995, J. Phys. Chem., 99, 3033 10.1021/j100010a011 — BibTeX - RIS — PAHs

      Hudgins, D.M., Sandford, S.A., "INFRARED SPECTROSCOPY OF MATRIX-ISOLATED POLYCYCLIC AROMATIC HYDROCARBONS 1. PAHS CONTAINING 2 TO 4 RINGS", 1998, J. Phys. Chem. A, 102, 329 10.1021/jp9834816 — BibTeX - RIS — PAHs

      Hudgins, D.M., Allamandola, L.J., "INFRARED SPECTROSCOPY OF MATRIX-ISOLATED POLYCYCLIC AROMATIC HYDROCARBON CATIONS 3: THE POLYACENES ANTHRACENE, TETRACENE, AND PENTACENE", 1995, J. Phys. Chem., 99, 8978 10.1021/j100022a007 — BibTeX - RIS — PAHs

      Hudgins, D.M., Allamandola, L.J., "INFRARED SPECTROSCOPY OF MATRIX-ISOLATED POLYCYCLIC AROMATIC HYDROCARBON CATIONS 4: THE TETRACYCLIC PAH ISOMERS CHRYSENE AND 1,2-BENZANTHRACENE", 1997, J. Phys. Chem., 101, 3472-3477 10.1021/jp9609794 — BibTeX - RIS — PAHs

      Mattioda, A.L., Bauschlicher, C.W., Ricca, A., Bregman, J., Hudgins, D.M., Allamandola, L.J., "INFRARED SPECTROSCOPY OF MATRIX-ISOLATED NEUTRAL POLYCYCLIC AROMATIC NITROGEN HETEROCYCLES: THE ACRIDINE SERIES", 2017, Spec. Acta A, 181, 286 10.1016/j.saa.2017.03.044 — BibTeX - RIS — PAHs

      Hudgins, D.M., Sandford, S.A., "INFRARED SPECTROSCOPY OF MATRIX-ISOLATED POLYCYCLIC AROMATIC HYDROCARBONS 2. PAHS CONTAINING 5 OR MORE RINGS", 1998, J. Phys. Chem. A, 102, 344 10.1021/jp983482y — BibTeX - RIS — PAHs

      Mattioda, A.L., Hudgins, D.M., Bauschlicher, Jr., Rosi, M., Allamandola, L.J., "INFRARED SPECTROSCOPY OF MATRIX-ISOLATED POLYCYCLIC AROMATIC COMPOUNDS AND THEIR IONS. 6. POLYCYCLIC AROMATIC NITROGEN HETEROCYCLES", 2003, J. Phys. Chem. A., 107, 1486 10.1021/jp021938c — BibTeX - RIS — PAHs

      Hudgins, D.M., Bauschlicher, Jr., Allamandola, L.J., Fetzer, J.C., "INFRARED SPECTROSCOPY OF MATRIX-ISOLATED POLYCYCLIC AROMATIC HYDROCARBON IONS 5. PAHS INCORPORATING A CYCLOPENTADIENYL RING", 2000, J. Phys. Chem. A, 104, 3655 10.1021/jp993940i — BibTeX - RIS — PAHs

      Hudgins, D.M., Allamandola, L.J., "INTERSTELLAR PAH EMISSION IN THE 11 - 14 MICRON REGION: NEW INSIGHTS FROM LABORATORY DATA AND A TRACER OF IONIZED PAHS", 1999, Astrophys. J. Lett., 516, L41 10.1086/311989 — BibTeX - RIS — PAHs

      Hudgins, D.M., Sandford, S.A., "INFRARED SPECTROSCOPY OF MATRIX-ISOLATED POLYCYCLIC AROMATIC HYDROCARBONS 3. FLUORANTHENE AND THE BENZOFLUORANTHENES", 1998, J. Phys. Chem. A, 102, 353 10.1021/jp983483q — BibTeX - RIS — PAHs

      Mattioda, A.L., Hudgins, D.M., Bauschlicher, Jr., Allamandola, L.J., "INFRARED SPECTROSCOPY OF MATRIX-ISOLATED POLYCYCLIC AROMATIC COMPOUNDS AND THEIR IONS. 7. PHENAZINE, A DUAL SUBSTITUTED POLYCYCLIC AROMATIC NITROGEN HETEROCYCLE", 2005, Advances in Space Research, 36, 156 10.1016/j.asr.2005.03.127 — BibTeX - RIS — PAHs

      Mattioda, A.L., Bauschlicher, Jr., Bregman, J.D., Hudgins, D.M., Allamandola, L.J., Ricca, A., "INFRARED VIBRATIONAL AND ELECTRONIC TRANSITIONS IN THE DIBENZOPOLYACENE FAMILY", 2014, Spec. Acta A, 130, 639 10.1016/j.saa.2014.04.017 — BibTeX - RIS — PAHs

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    3. Clusters/theoretical:

      Ricca, A., Bauschlicher, C.W., Allamandola, L.J., "THE INFRARED SPECTROSCOPY OF NEUTRAL POLYCYCLIC AROMATIC HYDROCARBON CLUSTERS", 2013, ApJ, 776, 31 10.1088/0004-637X/776/1/31 — BibTeX - RIS — PAHs

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    4. Clusters/experimental:

      Roser, J.E., Allamandola, L.J., "INFRARED SPECTROSCOPY OF NAPHTHALENE AGGREGATION AND CLUSTER FORMATION IN ARGON MATRICES", 2010, ApJ, 722, 1932 10.1088/0004-637x/722/2/1932 — BibTeX - RIS — PAHs

      Roser, J.E., Ricca, A., Allamandola, L.J., "ANTHRACENE CLUSTERS AND THE INTERSTELLAR INFRARED EMISSION FEATURES", 2014, ApJ, 783, 97 10.1088/0004-637x/783/2/97 — BibTeX - RIS — PAHs

      Roser, J.E., Ricca, A., "POLYCYCLIC AROMATIC HYDROCARBON CLUSTERS AS SOURCES OF INTERSTELLAR INFRARED EMISSION", 2015, ApJ, 801, 108 10.1088/0004-637x/801/2/108 — BibTeX - RIS — PAHs

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  3. Software:
    1. pypahdb

      Shannon, M.J., Boersma, C., "ORGANIC MOLECULES IN SPACE: INSIGHTS FROM THE NASA AMES MOLECULAR DATABASE IN THE ERA OF THE JAMES WEBB SPACE TELESCOPE", 2018, SciPy, 99 10.25080/majora-4af1f417-00f — BibTeX - RIS

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You are kindly asked to consider the following references for citation when using the database:

  • C.W. Bauschlicher, Jr., A. Ricca, C. Boersma, L.J. Allamandola, "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: COMPUTATIONAL VERSION 3.00 WITH UPDATED CONTENT AND THE INTRODUCTION OF MULTIPLE SCALING FACTORS", The Astrophysical Journal Supplement Series, 234, 32, 2018 10.3847/1538-4365/aaa019 — BibTeX - RIS
  • C. Boersma, C.W. Bauschlicher, Jr., A. Ricca, A.L. Mattioda, J. Cami, E. Peeters, F. Sánchez de Armas, G. Puerta Saborido, D.M. Hudgins, and L.J. Allamandola, "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE VERSION 2.00: UPDATED CONTENT, WEBSITE AND ON/OFFLINE TOOLS", The Astrophysical Journal Supplement Series, 211, 8, 2014 10.1088/0067-0049/211/1/8 — BibTeX - RIS
  • Mattioda, A. L., Hudgins, D. M., Boersma, C., Ricca, A., Peeters, E., Cami, J., Sánchez de Armas, F., Puerta Saborido, G., Bauschlicher, C. W., J., and Allamandola, L. J. "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: THE LABORATORY SPECTRA", The Astrophysical Journal Supplement Series, 251, 22, 2020 10.3847/1538-4365/abc2c8 — BibTeX - RIS
84 species present in version 3.10 of the experimental database (Apr 13, 2023)