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Measurements of infrared absorption cross-sections for n-C3F8, c-C4F8, n-C4F10, and n-C5F12 from 298 to 350 K J. Mol. Spectrosc. (IF 1.4) Pub Date : 2024-03-15 Muhammad Osama Ishtiak, Orfeo Colebatch, Karine Le Bris, Paul J. Godin, Kimberly Strong
Perfluoro-n-propane, perfluorocyclobutane, perfluoro-n-butane, and perfluoro-n-pentane are non-ozone-depleting industrial alternatives to chlorofluorocarbons and hydrochlorofluorocarbons. However, these perfluoroalkanes have significant band strength in the atmospheric window from 800 to 1200 cm. Coupled with their millennial-scale atmospheric lifetimes, they can lead to significant long-term global
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Spectroscopic observation and ab initio calculations of a new isomer of the CS2 trimer J. Mol. Spectrosc. (IF 1.4) Pub Date : 2024-03-11 A.J. Barclay, A.R.W. McKellar, A. Pietropolli Charmet, N. Moazzen-Ahmadi
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Collision-broadening of vibration-inversion-rotation ammonia spectral lines in Q(J)-branch at 6.2 µm by cavity ring-down spectroscopy J. Mol. Spectrosc. (IF 1.4) Pub Date : 2024-03-01 Soumyadipta Chakraborty, Indrayani Patra, Ardhendu Pal, Manik Pradhan
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High-temperature line strength and line shape parameters measurements of Ar- and N2-perturbed CO2 lines near 4.18 µm in a shock tube J. Mol. Spectrosc. (IF 1.4) Pub Date : 2024-02-22 Youquan Yang, Zhimin Peng, Dao Zheng, Meng Zhang, Yanjun Ding, Yanjun Du
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Rotational and hyperfine structure in the A4Δ – X4Φ, B4Γ – X4Φ and C4Δ – X4Φ transitions of ruthenium monofluoride (RuF) J. Mol. Spectrosc. (IF 1.4) Pub Date : 2024-02-12 H. Zarringhalam, D.W. Tokaryk, A.G. Adam, C. Linton
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Chemometrics approach to Cantilever enhanced photoacoustic spectroscopy with Quantum Cascade lasers J. Mol. Spectrosc. (IF 1.4) Pub Date : 2024-02-10 Jan Suchánek, Michal Dostál, Václav Nevrlý, Pavel Kubát, Hana Chaloupecká, Zdeněk Zelinger
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Diborane anharmonic vibrational frequencies and Intensities: Experiment and theory J. Mol. Spectrosc. (IF 1.4) Pub Date : 2024-02-09 Aaron I. Strom, Ibrahim Muddasser, Guntram Rauhut, David T. Anderson
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Rotational detection of the silicon-carbon chains H2C3Si and HSiCCH J. Mol. Spectrosc. (IF 1.4) Pub Date : 2024-01-23 Michael C. McCarthy, P. Bryan Changala, P. Brandon Carroll
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Ammonia – Formic acid complex: internal rotation analysis, calculations, and new microwave measurements J. Mol. Spectrosc. (IF 1.4) Pub Date : 2024-01-17 Kristen K. Roehling, Rhett P. Hill, Adam M. Daly, Stephen G. Kukolich
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Coulombic or electrostatic: Determination of the effects of substitution on the structures of 2-, 3-, and 4-picolylamine using Fourier transform microwave spectroscopy J. Mol. Spectrosc. (IF 1.4) Pub Date : 2024-01-06 Kaylee X. Shook, Lindsey M. McDivitt, Caleb D. Shiery, Josiah R. Bailey, Timothy J. McMahon, Robert A. Grimminger, Ryan G. Bird
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A spectroscopic investigation of the lowest electronic states of the I2+ cation as a candidate for detecting the time variation of fundamental constants J. Mol. Spectrosc. (IF 1.4) Pub Date : 2024-01-02 Yujie Zhao, Yali Tian, Xiaohu He, Ting Gong, Xiaocong Sun, Guqing Guo, Xuanbing Qiu, Xiang Yuan, Jinjun Liu, Lunhua Deng, Chuanliang Li
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The microwave spectrum of the low energy conformers of 1-ethylsilacyclopentane J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-12-20 Josie R. Glenn, J.E. Isert, Jacob D. Bethke, Gamil A. Guirgis, G.S. Grubbs
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Reinvestigation of the Fourier transform microwave spectrum of N-ethylacetamide: Pseudo a-type transitions J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-12-13 Yoshiyuki Kawashima, Nobuhiko Kuze, Koichi M. T. Yamada, Eizi Hirota
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Analysis of the calculated and observed X-X ro-vibrational transition intensities in molecular hydrogen J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-12-05 V.G. Ushakov, S.A. Balashev, E.S. Medvedev
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Microwave measurements and structure calculations for a glyoxylic acid – Water complex J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-11-29 Adam M. Daly, Rhett P. Hill, Myla G. Gonzalez, Stephen G. Kukolich
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The Ground Electronic State of CS: A Global Multi-Isotopologue Direct Potential Fit Analysis J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-11-21 John A. Coxon, Photos G. Hajigeorgiou
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Potential and kinetic interaction of two internal tops in molecules belonging to C2v(M) molecular symmetry group J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-11-22 George A. Pitsevich, Alex E. Malevich, Uladzimir U. Sapeshka
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Observation and assignment of a high-resolution FTIR-spectrum of T216O, DT16O and HT16O in the range of 4300 to 4700cm−1 J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-11-14 Valentin Hermann, Anne Freise, Magnus Schlösser, Frank Hase, Johannes Orphal
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Colin Western (1957–2021) J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-11-10 M.N.R. Ashfold, A.J. Orr-Ewing
Abstract not available
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Manifestation of binary collisions in the Raman-allowed bending vibrational band of the SF6 molecule J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-11-10 Florent Rachet, Michael Chrysos
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Taming semi-empirical methods for PAHs and vibrational spectra J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-10-31 Brent R. Westbrook, Ryan C. Fortenberry
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The database of spectroscopic constants of diatomic molecules (DSCDM): A dynamic and user-friendly interface for molecular physics and spectroscopy J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-10-30 Yueqian Wang, Daniel Julian, Mahmoud A.E. Ibrahim, Connor Chin, Saketh Bhattiprolu, Ethan Franco, Jesús Pérez-Ríos
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The C2H4O isomers in the oxidation of ethylene J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-10-27 Nathan A. Seifert, Branko Ruscic, Raghu Sivaramakrishnan, Kirill Prozument
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The ground electronic state of ClF: Updated molecular constants and potential curves for 35ClF and 37ClF J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-10-18 Photos G. Hajigeorgiou
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Conformational analysis of carboxylic acid anhydrides: A microwave and computational study J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-10-16 Nathan Love, Aaron J. Reynolds, Michael A. Dvorak, Kenneth R. Leopold
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Ro-vibrational spectra of CC stretching modes of C3H+ and HC3O+ J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-10-12 Marcel Bast, Julian Böing, Thomas Salomon, Sven Thorwirth, Oskar Asvany, Mathias Schäfer, Stephan Schlemmer
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The 130 – 750 GHz rotational spectrum of 2-cyanopyridine – Analysis of the ground vibrational state and the Coriolis-coupled dyad of its lowest-energy fundamental states J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-10-10 P. Matisha Dorman, Brian J. Esselman, Maria A. Zdanovskaia, R. Claude Woods, Robert J. McMahon
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Unveiling the force of weak effects in molecular absorption J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-10-05 Konstantin V. Kazakov, Andrey A. Vigasin
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The first observation of the 12C16O2 absorption bands near 660 nm J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-10-09 Yu.G. Borkov, A.M. Solodov, A.A. Solodov, T.M. Petrova, V.I. Perevalov
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Conformational landscapes of symmetrically fluorine-substituted benzoic acids I: Microwave spectroscopic and theoretical studies on 3,5-difluorobenzoic acid J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-09-28 Alitza Gracia, Jingling Hong, Rebakah Arismendi, Weixing Li, Wei Lin
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Conformational landscapes of symmetrically fluorine-substituted benzoic acids II: Calculations and measurements for the rotational spectrum and structure of 3,4,5-trifluorobenzoic acid J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-09-21 Jingling Hong, Alitza Gracia, Savannah Romero, Mingfei Zhou, Wei Lin, Weixing Li
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The microwave spectrum of the sesamol (1,3-benzodioxol-5-ol) monomer and an analysis of its internal motion J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-09-23 Kert Gibson, Brayden Carty, Galen Sedo, Joshua E. Isert, William H. Rice, Garry S. Grubbs
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H2O-HF dimer rotational spectra: New measurements and re-analysis J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-09-23 German Yu. Golubiatnikov, Oleg L. Polyansky, Nikolai F. Zobov, Jonathan Tennyson, Roman I. Ovsyannikov, Mikhail Yu. Tretyakov
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Measurements of perfluoro-n-hexane and perfluoro-2-methylpentane infrared absorption cross-sections from 298 to 350 K J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-09-16 Muhammad Osama Ishtiak, Orfeo Colebatch, Karine Le Bris, Paul J. Godin, Kimberly Strong
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Joint survey of the experimental high-resolution spectra of H16O37Cl and H16O35Cl with a reanalysis of the 2ν2 band J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-09-16 Gábor Ecseri, Irén Simkó, Tibor Furtenbacher, Balázs Rácsai, Luciano Fusina, Gianfranco Di Lonardo, Kirk A. Peterson, Attila G. Császár
The study starts with a detailed analysis of all the high-resolution rovibrational transitions measured for the minor hypochlorous acid isotopologue H16O37Cl, employing the Marvel (Measured Active Rotational-Vibrational Energy Levels) procedure. The survey considers 16 sources, the wavenumber coverage of the transitions extends from the microwave to the visible region, corresponding to 13 vibrational
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Effective Hamiltonians for calculation of rotational energy levels and relative intensities in open-shell clusters containing O2 (3Σg-) and a closed–shell molecule J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-08-29 Wafaa M. Fawzy
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The microwave spectra of the conformers of n-butyl nitrate J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-08-23 Susanna L. Stephens, Eléonore Antonelli, Alexander B. Seys, Ha Vinh Lam Nguyen, Stewart E. Novick, S.A. Cooke, Thomas A. Blake
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The pressure effect on the line profiles observed in the ν1+ν3 band of acetylene: Revisited J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-08-23 Sho Okubo, Kana Iwakuni, Hideki Kato, Feng-Lei Hong, Hiroyuki Sasada, Hajime Inaba, Koichi M.T. Yamada
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Fourier transform infrared (FTIR) spectroscopy of formaldoxime isotopologue 12CD2NOH in the 300–3700 cm−1 region and its ν12 and ν9 bands: Vibrational and rovibrational analyses J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-07-29 A. Jusuf, T.L. Tan, Q.Y. Wu
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Extrapolation properties of the Morse-Long Range potential at large internuclear distances J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-07-24 A. Sinanaj, A. Pashov
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Microwave spectrum and structure of a glyoxylic acid – formic acid complex☆ J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-07-13
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Mapping extended reaction coordinates in photochemical dynamics J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-07-06 Dave Townsend
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Microwave measurements and calculations for the glyoxylic acid – Formic acid hydrogen-bonded complex J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-06-29 Jack L. Nichols, Kristen K. Roehling, Adam M. Daly, Stephen G. Kukolich
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Ab initio potential energy surface and vibration-rotation energy levels of magnesium monohydroxide revisited J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-06-28 Jacek Koput
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Improved potential-energy and dipole-moment functions of the ground electronic state of phosphorus nitride J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-06-14 V.G. Ushakov, M. Semenov, S.N. Yurchenko, A. Yu. Ermilov, E.S. Medvedev
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The ground, v2 = 1, 2 and v4 = 1 states of 14ND3 analyzed at experimental accuracy J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-06-07 Elisabetta Canè, Gianfranco Di Lonardo, Luciano Fusina, Adriana Predoi-Cross, Filippo Tamassia
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Dynamics of the H2 levels lying between the third and fourth dissociation thresholds (132 500 – 139 000 cm− 1) J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-06-10 M. Glass-Maujean, H. Schmoranzer
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The 2ν3/ν2/ν5/ν3 + ν6 band system of CH3Br revisited: Anharmonic and Coriolis interactions in a four-level system near 1400 cm−1 J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-06-01 Adina Ceausu–Velcescu, Wilfried Tchana Betnga, Fridolin Kwabia Tchana, Laurent Manceron, Xavier Landsheere
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The chirped pulse, Fourier transform microwave spectrum of 1-chloromethyl-1-fluorosilacyclopentane J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-06-01 Tiara Pulliam, Frank E. Marshall, Theodore Carrigan-Broda, Daniel V. Hickman, Gamil Guirgis, G.S. Grubbs
The microwave spectrum of 1-chloromethyl-1-fluorosilacyclopentane has been recorded for the first time using the chirped pulse, Fourier transform microwave technique. Quantum chemical calculations show the two lowest energy conformers as being a twist-trans and a gauche form with the gauche form previously being shown as having two separate conformations, a gauche+ (lower in energy) and gauche- (higher
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High resolution laser spectroscopy of iodine molecule in the 14400–14600 cm−1 range J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-05-31 David Rodríguez Fernández, Manuel Alejandro Lefrán Torres, Marcos Roberto Cardoso, Jorge Douglas Massayuki Kondo, Luis Gustavo Marcassa
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Rotational spectroscopic studies of para-nitrobenzoic acid, para-aminobenzoic acid, para-chlorobenzoic acid, and para-hydroxybenzoic acid J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-05-26 Mohamad H. Al-Jabiri, Arsh S. Hazrah, Aran Insausti, Yunjie Xu, Wolfgang Jӓger
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Spectral extension of two glycolic acid conformers into the submillimeter regime J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-05-28 Chase P. Schultz, Susanna L. Widicus Weaver
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The molecular oxygen 118-GHz line intensity revision J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-05-26 Dmitriy S. Makarov, Evgeniy A. Serov, Tatyana A. Galanina, Aleksandra O. Koroleva, Mikhail Yu. Tretyakov
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The Planck constant of action and the Kibble balance J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-05-26 P.R. Bunker, Sergei N. Yurchenko
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Microwave spectrum and substitution structure of syn thiobenzoic acid J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-05-14 Aaron J. Reynolds, Kenneth R. Leopold
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Accurate equilibrium structures of some challenging molecules: FNO, ClNO, HONO, FNO2, and N2O J. Mol. Spectrosc. (IF 1.4) Pub Date : 2023-05-18 Jean Demaison, Jacques Liévin, Natalja Vogt