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SOLEIL and ALMA views on prototypical organic nitriles: C2H5CN J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-11-16 Christian P. Endres; Marie-Aline Martin-Drumel; Oliver Zingsheim; Luis Bonah; Olivier Pirali; Tianwei Zhang (张天惟); Álvaro Sánchez-Monge; Thomas Möller; Nadine Wehres; Peter Schilke; Michael C. McCarthy; Stephan Schlemmer; Paola Caselli; Sven Thorwirth
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Rotational spectroscopy and precise molecular structure of 1,2-dichlorobenzene J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-10-20 Zbigniew Kisiel; Ewa Białkowska-Jaworska; Junhua Chen; Lech Pszczółkowski; Paweł Gawryś; Jerzy Kosarzewski
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Ab initio potential energy surface and microwave spectra for Kr-NCCN complex J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-10-22 Wuying Huang; Jing Qian; Lilei Lei; Bowen Lv; Haisheng Tao; Kuanguo Li; Eryin Feng
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High-resolution infrared action spectroscopy of the fundamental vibrational band of CN+ J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-09-28 José L. Doménech; Oskar Asvany; Charles R. Markus; Stephan Schlemmer; Sven Thorwirth
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Laboratory gas-phase vibrational spectra of [C3H3]+ isomers and isotopologues by IRPD spectroscopy J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-10-08 Aravindh N. Marimuthu; David Sundelin; Sven Thorwirth; Britta Redlich; Wolf D. Geppert; Sandra Brünken
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The pyrrole-water complex: Multidimensional large amplitude dynamics and rotational spectra of its 13C isotopologues J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-10-15 Bowei Wu; Fan Xie; Yunjie Xu
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The microwave spectra and molecular structures of (E)-1,3,3,3-tetrafluoropropene and its complex with the argon atom J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-10-15 Mark D. Marshall; Helen O. Leung; Olivia Febles; Alexandra Gomez
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Observation and analysis of a new [14.26]0+ – X 3Σ–0+ transition of WS, observed using intracavity laser spectroscopy with Fourier-transform detection J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-10-09 Jack C. Harms; Kristin N. Bales; James J. O'Brien; Leah C. O'Brien
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A study of the conformational isomerism of n-propyl nitrate by microwave spectroscopy J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-09-28 W. Orellana; Susanna L. Stephens; Stewart E. Novick; S.A. Cooke; Carolyn S. Brauer; Thomas A. Blake
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An analysis of the rotational ground state and lowest-energy vibrationally excited dyad of 3-cyanopyridine: Low symmetry reveals rich complexity of perturbations, couplings, and interstate transitions J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-09-11 P. Matisha Dorman; Brian J. Esselman; R. Claude Woods; Robert J. McMahon
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Proton inversion tunneling in the rotational spectrum of acetone cyanohydrin J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-09-11 Philipp Buschmann; Kevin G. Lengsfeld; Kathryn Aydt; Michaela K. Jahn; Sven Herbers; Michael J. Travers; Ha Vinh Lam Nguyen; Jens-Uwe Grabow
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Investigation of the rotamers of 3-furfural by microwave spectroscopy J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-09-16 Carolyn Gregory; Jennifer van Wijngaarden
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Stable isomeric structures of the pyridine cation (C5H5N•+) and protonated pyridine (C5H5NH+) elucidated by cold ion infrared spectroscopy J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-08-30 Daniël B. Rap; Aravindh N. Marimuthu; Britta Redlich; Sandra Brünken
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Laboratory rotational spectroscopy of methyl n-propyl sulfide: Conformational analysis and methyl internal rotation J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-08-29 Layla Tulimat; Halima Mouhib; Ha Vinh Lam Nguyen; Wolfgang Stahl
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Ro-vibrational spectroscopy of 2,5-norbornadiene between 400 and 850 cm−1 J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-08-20 Robert L. Sams, Thomas A. Blake
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The electronic spectrum of AgI2. Ab initio benchmark CASSCF + Averaged Coupled Pair Functional studies on the ligand-field states including spin-orbit couplings J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-08-20 Alejandro Ramírez-Solís
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Fourier transform infrared spectroscopy of BH3 with the first identification of the ν4 band J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-08-15 Kentarou Kawaguchi
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Multidimensional molecular high-harmonic spectroscopy: A road map for charge migration studies J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-08-11 Daniel R. Tuthill, François Mauger, Timothy D. Scarborough, Robert R. Jones, Mette B. Gaarde, Kenneth Lopata, Kenneth J. Schafer, Louis F. DiMauro
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Analysis of several high-resolution infrared bands of perdeutero-spiropentane, C5D8 J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-08-07 J.W. Nibler, B.A. Erickson, C.S. Brauer, T. Masiello, T.A. Blake
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Intracavity laser spectroscopy with Fourier-transform detection of tungsten sulfide, WS: Analysis of the (1,0) band of the [13.10] Ω = 1 − X 3Σ–0+ transition J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-08-04 Jack C. Harms, Brendan M. Ratay, Kristin N. Bales, James J. O'Brien, Leah C. O'Brien
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FTMW spectroscopy of epichlorohydrin: Detection of three conformers J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-08-03 Yasuki Endo, Takamasa Momose
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14N nuclear quadrupole coupling and methyl internal rotation in 3-methylpyrrole investigated by microwave spectroscopy J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-08-02 Thuy Nguyen, Wolfgang Stahl, Ha Vinh Lam Nguyen, Isabelle Kleiner
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Calculation of IR absorption intensities for hydrogen bond from exactly solvable Schrödinger equation J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-07-23 A.E. Sitnitsky
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A laboratory rotational study of the interstellar propynal J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-07-18 A. Jabri, L. Kolesniková, E.R. Alonso, I. León, S. Mata, J.L. Alonso
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Calculated molecular properties and microwave spectrum analysis for formamidinium formate J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-07-16 Carlos A. Jiménez Hoyos, Zunwu Zhou, Stephen G. Kukolich
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Connecting all electronic states of TaH: Observation of five new weak bands J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-07-16 Zachary T.P. Fried, Siddhant Singh, Thomas D. Varberg
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NOx speciation from copper dissolution in nitric acid/water solutions using FTIR spectroscopy J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-07-15 Jacquelyn M. Dorhout, Aaron S. Anderson, Enrique Batista, Rebecca K. Carlson, Robert P. Currier, Ronald K. Martinez, Samuel M. Clegg, Marianne P. Wilkerson, Kristy Nowak-Lovato
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Ab initio investigation of dicyanoacetylene cation in the ground electronic state: Vibronic coupling and photoionization selection rules J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-07-12 Milan Z. Milovanović, Marko Lj. Mitić
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Addition to and revision of the HI Rydberg states energy region J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-07-10 Meng-Xu Jiang, Arnar Hafliðason, Ágúst Kvaran
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The ion-pair character of the B0+ state of CuAg J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-07-01 Qiang Zhang, Jiaye Jin, Peter Bornhauser, Gregor Knopp, Peter P. Radi
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High-resolution spectroscopy of the [18.4]2.5 – X2Δ5/2 transition of ruthenium monoboride (RuB) J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-06-30 J.M. Dore, A.G. Adam, C. Linton, D.W. Tokaryk
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Asymmetric halogen dioxides: High level calculations and anion photoelectron spectroscopy J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-06-30 Peter D. Watson, Allan J. McKinley, Duncan A. Wild
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Propionitrile in the two lowest excited vibrational states in the laboratory and on Titan J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-06-30 Zbigniew Kisiel, Conor A. Nixon, Martin A. Cordiner, Alexander E. Thelen, Steven B. Charnley
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High-resolution spectroscopy of the 000,201,301 and 311 bands in the A~1B2-X~1A1 transition of SiC2 J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-06-27 Qiang Zhang, De-Ping Zhang, Bo-Xing Zhu, Jing-Wang Gu, Chun-Ting Yu, Zeng-Jun Xiao, Yang Chen, Dong-Feng Zhao
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FTIR spectra of NaTe and KTe and ab initio calculations of the electronic structure of these molecules J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-06-27 K.D. Setzer, E.H. Fink, H.-P. Liebermann, A.B. Alekseyev, R.J. Buenker
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Microwave spectrum and structure of the SO3−SO2 weakly bound complex J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-06-25 Anna K. Huff, Rebecca M. Ward, Kenneth R. Leopold
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Theoretical study of transition spectra of TiO molecule J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-06-24 Junxia Cheng, Hong Zhang, Xinlu Cheng, Jia Wang, Shenjiang Wu
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Halogen bond and internal dynamics in the σ–complex of pyridine-chlorotrifluoromethane: A rotational study J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-06-20 Qian Gou, Montserrat Vallejo López, Lorenzo Spada, Andrea Staffolani, Alberto Lesarri, Emilio J. Cocinero, Walther Caminati
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Submillimeter-wave spectroscopy of and interstellar search for thioacetaldehyde J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-06-17 L. Margulès, V.V. Ilyushin, B.A. McGuire, A. Belloche, R.A. Motiyenko, A. Remijan, E.A. Alekseev, O. Dorovskaya, J.-C. Guillemin
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Analysis of the Coriolis perturbed rovibrational spectrum of the CO asymmetric stretch and CC symmetric stretch of trimethylene oxide J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-06-12 Omar Mahassneh, Jennifer van Wijngaarden
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On the experimental measurement of barriers to four-fold internal rotation in pentafluorosulfanyl-containing compounds: The microwave spectra of C3H5-SF5 and C4H7-SF5 J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-06-01 W. Orellana, Susanna L. Stephens, Stewart E. Novick, S.A. Cooke
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Measurements and calculations of Kr-broadening and shift parameters of water vapour transitions in a wide spectral region J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-05-29 T.M. Petrova, A.M. Solodov, A.A. Solodov, V.M. Deichuli, V.I. Starikov
The water vapour line broadening (γ) and shifting (δ) coefficients for 497 lines of 16 vibrational bands ν1, ν3, 2ν2, ν1 + ν2, ν2 + ν3, 3ν2, 2ν2 + ν3, ν1 + 2ν2, ν1 + ν3, 2ν1, 2ν3, 6ν2, 2ν1 + ν2,ν2 + 2ν3, ν1 + 3ν2, and 3ν2 + ν3 induced by krypton pressure were measured with Bruker IFS 125 HR Fourier transform spectrometer. The measurements were performed at room temperature, at the spectral resolution
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Characterization of nitrogen-containing species produced from nitric acid/water systems J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-05-29 Jacquelyn M. Dorhout, Kristy Nowak-Lovato, Rebecca K. Carlson, Robert P. Currier, Aaron S. Anderson, Enrique R. Batista, Zhenghua Li, Ronald K. Martinez, Marianne P. Wilkerson, Samuel M. Clegg
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Computational spectroscopy of diatomic tungsten carbide, WC J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-05-29 Said Sabor, Driss Fadili, Adil Touimi Benjelloun, Mohammed Benzakour, Mohammed Mcharfi
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Determination of accurate rest frequencies and hyperfine structure parameters of cyanobutadiyne, HC5N J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-05-28 Thomas F. Giesen, Michael E. Harding, Jürgen Gauss, Jens-Uwe Grabow, Holger S.P. Müller
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High-resolution FTIR spectroscopy of 12C2HD3 in the 830–1110 cm−1 region: A study of the Coriolis and anharmonic interactions within the v3 = 1, v6 = 1 and v8 = 1 triad J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-05-24 L.L. Ng, T.L. Tan
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Transition properties between low-lying electronic states of SiO+ J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-05-14 Zhi Qin, Tianrui Bai, Junming Zhao, Linhua Liu
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A new treatment of the 2ν3 (A1) infrared band of methyl bromide CH3Br around 1213 cm−1 J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-05-14 Hamid Najib
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Reconnaissance of the uncharted low energy vibrational motions of acenaphthene J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-05-11 Sébastien Gruet, Amanda L. Steber, Melanie Schnell
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The fundamental ν3 band of DTO and the 2ν1 overtone band of HTO from the analysis of a high-resolution spectrum of tritiated water vapour J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-04-28 Johannes Reinking, Valentin Hermann, Johannes Müller, Magnus Schlösser, Frank Hase, Johannes Orphal
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A new program for the assignment and fitting of dense rotational spectra based on spectral progressions: Application to the microwave spectrum of pivalic anhydride J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-04-28 Nathan Love, Anna K. Huff, Kenneth R. Leopold
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Intramolecular hydrogen bond stabilized conformation of 3-aminopropanol J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-04-25 Andrew S. Khalil, Richard J. Lavrich
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Perturbations of the A′1Π and C1Σ+ states of CaO J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-04-22 Sean M. Bresler, Joel R. Schmitz, Michael C. Heaven, Robert W. Field
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Concerning the asymmetric top rotational partition function in astronomical spectroscopy J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-04-22 Tyler Wells, Paul L. Raston
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Deuterium hyperfine splittings in the rotational spectrum of NH2D as revealed by Lamb-dip spectroscopy J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-04-20 Mattia Melosso, Luca Dore, Jürgen Gauss, Cristina Puzzarini
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Coriolis Interactions in benzene-water and related molecular complexes J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-04-18 Prasenjit Halder, Mangala Sunder Krishnan, E. Arunan
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Experimental characterization of argon/air mixture microwave plasmas using optical emission spectroscopy J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-04-16 Sébastien Rassou, Alain Piquemal, Nofel Merbahi, Fréderic Marchal, Mohammed Yousfi
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Next level achievement of the XIAM code in modeling the microwave spectrum of m-methylanisole J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-04-13 Sven Herbers, Ha Vinh Lam Nguyen
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Improved ground state and v12 = 1 state rovibrational constants of formaldoxime (CH2NOH) J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-04-13 Q.Y. Wu, T.L. Tan
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High-resolution cw-cavity ring-down spectroscopy of allowed (ν4 + ν5)0 and forbidden (ν4 + ν5)2 bands of C2H2 using external-cavity quantum cascade laser J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-04-09 Mithun Pal, Manik Pradhan
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