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The Rotationally Resolved Infrared Spectrum of TiO and Its Isotopologues J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-26 Daniel Witsch; Alexander A. Breier; Eileen Döring; Koichi M.T. Yamada; Thomas F. Giesen; Guido W. Fuchs
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Theoretical rovibrational characterization of HAlNP: Weak bonding but strong intensities J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-06 Ryan C. Fortenberry; Tarek Trabelsi; Joseph S. Francisco
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Microwave Zeeman effect of methanol J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-06 Kojiro Takagi; Shozo Tsunekawa; Kaori Kobayashi; Tomoya Hirota; Fusakazu Matsushima
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A rotational and vibrational investigation of phenylpropiolonitrile (C6H5C3N) J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-20 Zachary Buchanan; Kin Long Kelvin Lee; Olivia Chitarra; Michael C. McCarthy; Olivier Pirali; Marie-Aline Martin-Drumel
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Analysis of the newly observed [15.05]0+ – X 3Σ–(0+) transition of WS observed using intracavity laser spectroscopy with Fourier-transform detection J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-20 Kristin N. Bales; Jack C. Harms; James J. O'Brien; Leah C. O'Brien
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Vibrational spectroscopy of H2He+ and D2He+ J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-20 Oskar Asvany; Stephan Schlemmer; Ad der Avoird; Tamás Szidarovszky; Attila G. Császár
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Buffer-gas pressure broadening at high J values in the ν3 band of CO2 measured with tunable diode laser absorption spectroscopy J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-17 Dongdong Chen; Lei Shi; Ping Xu; Rui Wang; Changhua Zhang
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Intermolecular vibrational states far above the van der Waals minimum: Combination bands of the polar N2O dimer J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-06 A.R.W. McKellar; Moazzen-Ahmadi
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Structure and photochemistry of a potential precursor of circumstellar dust: The optical spectrum of Si4C2+ J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-06 Marko Förstel; Robert G. Radloff; Kai Pollow; Taarna Studemund; Otto Dopfer
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Spectroscopy and electronic structure of the low-energy states of ThN J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-04 Joel R. Schmitz; Michael C. Heaven
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Rovibrational spectra of nonpolar (N2O)2 and Ar–N2O complexes in the 2v2 overtone region of N2O J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-04 Xiang Li; Zhuang Liu; Chuanxi Duan
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Rovibrational spectroscopy of the CH+-He and CH+-He4 complexes J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-02-08 Thomas Salomon; José L. Doménech; Philipp C. Schmid; Ernest A. Michael; Stephan Schlemmer; Oskar Asvany
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Line intensities of the 01111–00001 magnetic dipole absorption band of 12C16O2: Laboratory measurements J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-01-08 Yu.G. Borkov; A.M. Solodov; A.A. Solodov; V.I. Perevalov
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The new nitrogen dioxide (NO2) linelist in the GEISA database and first identification of the ν1+2ν3-ν3 band of 14N16O2 J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-12-17 Agnès Perrin; L. Manceron; J.-M. Flaud; F. Kwabia-Tchana; R. Armante; P. Roy; D. Doizi
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Vibrations of pyrrole, N-substituted pyrroles, and their cations J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-01-03 Alexander R. Davies; David J. Kemp; Timothy G. Wright
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Fourier transform infrared (FTIR) spectroscopy of formaldoxime (CH2NOH) in the 450–3800 cm−1 region and its ν9 band J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-01-07 Q.Y. Wu; T.L. Tan
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Microwave Spectrum and Iodine Nuclear Quadrupole Coupling Constants of 1,1-Diiodoethane J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-01-15 Michael J. Carrillo; Wei Lin; Yasuki Endo
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A chirped pulse Fourier transform microwave spectrometer with multi-antenna detection J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-12-11 Amanda Duerden; Frank E. Marshall; Nicole Moon; Christian Swanson; Kristen M. Donnell; G.S. Grubbs II
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The 2,2,4,4-tetrafluoro-1,3-dithietane⋯NH3 complex: A rotational study reveals a N⋯σ-hole interaction J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-12-19 Xiaolong Li; Kevin G. Lengsfeld; Philipp Buschmann; Juan Wang; Jens-Uwe Grabow; Qian Gou; Gang Feng
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The high-resolution infrared analysis of the ν3 and ν6 bands of CD3Br J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-12-17 T. Masiello; S. Ray; J.W. Vant; C.S. Brauer; T.A. Blake
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Hydrogen bonding interactions in the 1,1,1,3,3,3-hexafluoro-2-propanol∙∙∙1,4-dioxane complex: Rotational spectroscopy and density functional theory calculations J. Mol. Spectrosc. (IF 1.229) Pub Date : 2021-01-05 Qian Yang; Fan Xie; Tao Lu; Nina Bui; Wolfgang Jäger; Yunjie Xu
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Benchmark comparison of dual-basis double-hybrid density functional theory and a neural-network-optimized method for intermolecular interactions J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-12-30 Jesse J. Lutz; Jason N. Byrd; John A. Montgomery Jr.
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The 1.66 μm spectrum of the ethynyl radical, CCH J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-12-13 Eisen C. Gross; Anh. T. Le; Gregory E. Hall; Trevor J. Sears
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The microwave spectrum and molecular structure of the gas-phase heterodimer formed between argon and glycidol J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-12-13 Helen O. Leung; Mark D. Marshall; Jonah R. Horowitz; Devon J. Stuart
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Experimental observation of the ν2+4ν3 bands of HD16O and HD18O between 14975 and 15275 cm−1 J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-11-25 S. Chandran; S. Dixneuf; J. Orphal; A.A. Ruth
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Rovibrational spectrum and structure of the NO(X2Π)–CO2 open-shell complex J. Mol. Spectrosc. (IF 1.229) Pub Date : 2020-11-25 Zhuang Liu; Xiang Li; Murong Ge; Chuanxi Duan
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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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