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Rotational spectroscopic characterisation of the [D
2
,C,S] system: an update from the laboratory and theory
Natalia Inostroza-Pino, Valerio Lattanzi, C. Zachary Palmer, Ryan C. Fortenberry, Diego Mardones, Paola Caselli, Oko E. Godwin and Timothy J. Lee Molecular Physics 122(7-8) (2024) https://doi.org/10.1080/00268976.2023.2280762
The fundamental vibrational frequencies and spectroscopic constants of the C2O2H2 isomers: molecules known in simulated interstellar ice analogues
Alexandria G. Watrous and Ryan C. Fortenberry Physical Chemistry Chemical Physics 26(31) 21260 (2024) https://doi.org/10.1039/D4CP02201G
Advancing spectroscopic understanding of HOCS+: Laboratory investigations and astronomical implications
Valerio Lattanzi, Miguel Sanz-Novo, Víctor M. Rivilla, Mitsunori Araki, Hayley A. Bunn, Jesús Martín-Pintado, Izaskun Jiménez-Serra and Paola Caselli Astronomy & Astrophysics 689 A260 (2024) https://doi.org/10.1051/0004-6361/202451518
Picking up Good Vibrations through Quartic Force Fields and Vibrational Perturbation Theory
Interstellar Detection of O-protonated Carbonyl Sulfide, HOCS+
Miguel Sanz-Novo, Víctor M. Rivilla, Izaskun Jiménez-Serra, Jesús Martín-Pintado, Laura Colzi, Shaoshan Zeng, Andrés Megías, Álvaro López-Gallifa, Antonio Martínez-Henares, Sarah Massalkhi, Belén Tercero, Pablo de Vicente, David San Andrés, Sergio Martín and Miguel A. Requena-Torres The Astrophysical Journal 965(2) 149 (2024) https://doi.org/10.3847/1538-4357/ad2c01
Millimeter and Submillimeter Spectroscopy of the Deuterated Molecular Ion SD+
Millimeter to THz Spectroscopy of HC18O+ and HC17O+: Accurate Rest Frequencies for Astrophysical Studies
Luca Bizzocchi, Francesca Tonolo, Barbara M. Giuliano, Paola Caselli, Mattia Melosso, Luca Dore, Silvia Alessandrini, Cristina Puzzarini and Andrea Pietropolli Charmet The Astrophysical Journal 970(1) 26 (2024) https://doi.org/10.3847/1538-4357/ad5007
The performance of hybrid and F12∗/F12c explicitly correlated coupled cluster methods for use in anharmonic vibrational frequency computations
Alexandria G. Watrous, Brent R. Westbrook and Ryan C. Fortenberry International Journal of Quantum Chemistry 123(23) (2023) https://doi.org/10.1002/qua.27225
Insights into the Molecular Structure and Spectroscopic Properties of HONCO: An Accurate Ab Initio Study
A High-resolution Spectroscopic Analysis of Aminoacrylonitrile and an Interstellar Search toward G+0.693
D. Alberton, V. Lattanzi, C. Endres, V. M. Rivilla, J. C. Guillemin, P. Caselli, I. Jiménez-Serra and J. Martín-Pintado The Astrophysical Journal 951(2) 108 (2023) https://doi.org/10.3847/1538-4357/acd8bd
Millimeter wave spectroscopy of propynal isotopologues and structure determination
Evan G. Robertson, Mahmut Ruzi, Don McNaughton, Laurent Margulès, Roman A. Motiyenko and Jean-Claude Guillemin Journal of Molecular Spectroscopy 394 111786 (2023) https://doi.org/10.1016/j.jms.2023.111786
F12+EOM Quartic Force Fields for Rovibrational Predictions of Electronically Excited States
The spectral features and detectability of small, cyclic silicon carbide clusters
Christopher M. Sehring, C. Zachary Palmer, Brent R. Westbrook and Ryan C. Fortenberry Frontiers in Astronomy and Space Sciences 9 (2022) https://doi.org/10.3389/fspas.2022.1074879
Confirmation of gaseous methanediol from state-of-the-art theoretical rovibrational characterization
Megan C. Davis, Noah R. Garrett and Ryan C. Fortenberry Physical Chemistry Chemical Physics 24(31) 18552 (2022) https://doi.org/10.1039/D2CP02076A
ALCHEMI Finds a “Shocking” Carbon Footprint in the Starburst Galaxy NGC 253
Nanase Harada, Sergio Martín, Jeffrey G. Mangum, Kazushi Sakamoto, Sebastien Muller, Víctor M. Rivilla, Christian Henkel, David S. Meier, Laura Colzi, Mitsuyoshi Yamagishi, Kunihiko Tanaka, Kouichiro Nakanishi, Rubén Herrero-Illana, Yuki Yoshimura, P. K. Humire, Rebeca Aladro, Paul P. van der Werf and Kimberly L. Emig The Astrophysical Journal 938(1) 80 (2022) https://doi.org/10.3847/1538-4357/ac8dfc
F12-TZ-cCR: A Methodology for Faster and Still Highly Accurate Quartic Force Fields
Alexandria G. Watrous, Brent R. Westbrook and Ryan C. Fortenberry The Journal of Physical Chemistry A 125(49) 10532 (2021) https://doi.org/10.1021/acs.jpca.1c08355
Pathways to Detection of Strongly-Bound Inorganic Species: The Vibrational and Rotational Spectral Data of AlH2OH, HMgOH, AlH2NH2, and HMgNH2
Highly-accurate quartic force fields for the prediction of anharmonic rotational constants and fundamental vibrational frequencies
Mason B. Gardner, Brent R. Westbrook, Ryan C. Fortenberry and Timothy J. Lee Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 248 119184 (2021) https://doi.org/10.1016/j.saa.2020.119184
Anharmonic Vibrational Frequencies and Spectroscopic Constants for the Detection of Ethynol in Space
On the formation and spectral signatures of magnesacyclopropene (c-MgC2H2)
Kimberley N. Poland, C. Zachary Palmer, Ava Chard, Steven R. Davis and Ryan C. Fortenberry Journal of Molecular Spectroscopy 382 111514 (2021) https://doi.org/10.1016/j.jms.2021.111514
Molecular complexity in pre-stellar cores: a 3 mm-band study of L183 and L1544
Extensive ro-vibrational analysis of deuterated-cyanoacetylene (DC3N) from millimeter-wavelengths to the infrared domain
Mattia Melosso, Luca Bizzocchi, Aleksandra Adamczyk, et al. Journal of Quantitative Spectroscopy and Radiative Transfer 254 107221 (2020) https://doi.org/10.1016/j.jqsrt.2020.107221
Propargylimine in the laboratory and in space: millimetre-wave spectroscopy and its first detection in the ISM
Submillimeter and Far-infrared Spectroscopy of Monodeuterated Amidogen Radical (NHD): Improved Rest Frequencies for Astrophysical Observations
Luca Bizzocchi, Mattia Melosso, Barbara Michela Giuliano, Luca Dore, Filippo Tamassia, Marie-Aline Martin-Drumel, Olivier Pirali, Laurent Margulès and Paola Caselli The Astrophysical Journal Supplement Series 247(2) 59 (2020) https://doi.org/10.3847/1538-4365/ab765f
Anharmonic Frequencies of (MO)2 and Related Hydrides for M = Mg, Al, Si, P, S, Ca, and Ti and Heuristics for Predicting Anharmonic Corrections of Inorganic Oxides
Theoretical rovibrational characterization of the cis/trans-HCSH and H2SC isomers of the known interstellar molecule thioformaldehyde
Natalia Inostroza-Pino, C. Zachary Palmer, Timothy J. Lee and Ryan C. Fortenberry Journal of Molecular Spectroscopy 369 111273 (2020) https://doi.org/10.1016/j.jms.2020.111273
Anharmonic Frequencies and Spectroscopic Constants of OAlOH and AlOH: Strong Bonding but Unhindered Motion
Enstatite (MgSiO3) and forsterite (Mg2SiO4) monomers and dimers: highly detectable infrared and radioastronomical molecular building blocks
E Michael Valencia, Charlie J Worth and Ryan C Fortenberry Monthly Notices of the Royal Astronomical Society 492(1) 276 (2020) https://doi.org/10.1093/mnras/stz3209
Spectral characterization for small clusters of silicon and oxygen: SiO2, SiO3, Si2O3, & Si2O4
Overcoming the out-of-plane bending issue in an aromatic hydrocarbon: the anharmonic vibrational frequencies of c-(CH)C3H2+
Brent R. Westbrook, Weston A. Del Rio, Timothy J. Lee and Ryan C. Fortenberry Physical Chemistry Chemical Physics 22(23) 12951 (2020) https://doi.org/10.1039/D0CP01889A
The Hunt for Elusive Molecules: Insights from Joint Theoretical and Experimental Investigations
Marie‐Aline Martin‐Drumel, Joshua H. Baraban, P. Bryan Changala, John F. Stanton and Michael C. McCarthy Chemistry – A European Journal 25(30) 7243 (2019) https://doi.org/10.1002/chem.201805986
Rotational and vibrational fingerprints of the oxywater cation (H2OO+), a possible precursor to abiotic O2
Rovibrational Spectral Analysis of CO3 and C2O3: Potential Sources for O2 Observed in Comet 67P/Churyumov–Gerasimenko
Ryan C. Fortenberry, Daniel Peters, Brian C. Ferrari and Christopher J. Bennett The Astrophysical Journal Letters 886(1) L10 (2019) https://doi.org/10.3847/2041-8213/ab53e8
The Fundamental Vibrational Frequencies and Spectroscopic Constants of the Dicyanoamine Anion, NCNCN− (C2N3
−): Quantum Chemical Analysis for Astrophysical and Planetary Environments
Detection of HOCO+ in the protostar IRAS 16293−2422
L Majumdar, P Gratier, V Wakelam, et al. Monthly Notices of the Royal Astronomical Society 477(1) 525 (2018) https://doi.org/10.1093/mnras/sty703
Protonated CO2 in massive star-forming clumps
F Fontani, A Vagnoli, M Padovani, et al. Monthly Notices of the Royal Astronomical Society: Letters 481(1) L79 (2018) https://doi.org/10.1093/mnrasl/sly160
Overcoming the Failure of Correlation for Out-of-Plane Motions in a Simple Aromatic: Rovibrational Quantum Chemical Analysis of c-C3H2
Ryan C. Fortenberry, Carlie M. Novak, Joshua P. Layfield, Eduard Matito and Timothy J. Lee Journal of Chemical Theory and Computation 14(4) 2155 (2018) https://doi.org/10.1021/acs.jctc.8b00164
Rovibrational Considerations for the Monomers and Dimers of Magnesium Hydride and Magnesium Fluoride
Accurate Laboratory Measurement of the Complete Fine Structure of the N = 1 − 0 Transition of 15NH
Luca Bizzocchi, Mattia Melosso, Luca Dore, Claudio Degli Esposti, Filippo Tamassia, Domenico Prudenzano, Valerio Lattanzi, Jacob Laas, Silvia Spezzano, Barbara M. Giuliano, Christian P. Endres and Paola Caselli The Astrophysical Journal 863(1) 3 (2018) https://doi.org/10.3847/1538-4357/aacffc
Quantum Chemical Rovibrational Analysis of the HOSO Radical
Towards completing the cyclopropenylidene cycle: rovibrational analysis of cyclic N3+, CNN, HCNN+, and CNC−
Ryan C. Fortenberry, Timothy J. Lee and Xinchuan Huang Physical Chemistry Chemical Physics 19(34) 22860 (2017) https://doi.org/10.1039/C7CP04257D
Towards a quantum chemical protocol for the prediction of rovibrational spectroscopic data for transition metal molecules: Exploration of CuCN, CuOH, and CuCCH
Qianyi Cheng, Ryan C. Fortenberry and Nathan J. DeYonker The Journal of Chemical Physics 147(23) (2017) https://doi.org/10.1063/1.5006931
Rotational and High-resolution Infrared Spectrum of HC3N: Global Ro-vibrational Analysis and Improved Line Catalog for Astrophysical Observations
Luca Bizzocchi, Filippo Tamassia, Jacob Laas, Barbara M. Giuliano, Claudio Degli Esposti, Luca Dore, Mattia Melosso, Elisabetta Canè, Andrea Pietropolli Charmet, Holger S. P. Müller, Holger Spahn, Arnaud Belloche, Paola Caselli, Karl M. Menten and Robin T. Garrod The Astrophysical Journal Supplement Series 233(1) 11 (2017) https://doi.org/10.3847/1538-4365/aa9571