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Daniel A. Obenchain - Publications

Affiliations: 
2011-2016 Chemistry Wesleyan University, Middletown, CT, United States 
 2016- Leibniz Universität Hannover, Hannover, Lower Saxony, Germany 
Area:
Microwave Spectroscopy
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50 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Hartwig B, Schnell M, Suhm MA, Obenchain DA. Weak hydrogen bonding to halogens and chirality communication in propanols: Raman and microwave spectroscopy benchmark theory. Physical Chemistry Chemical Physics : Pccp. PMID 38446207 DOI: 10.1039/d3cp04911f  0.686
2024 Sun W, Pinacho P, Obenchain DA, Schnell M. Gas-Phase Characterization of Adipic Acid, 6-Hydroxycaproic Acid, and Their Thermal Decomposition Products by Rotational Spectroscopy. The Journal of Physical Chemistry Letters. 817-825. PMID 38232320 DOI: 10.1021/acs.jpclett.3c02969  0.637
2023 Loru D, Steber AL, Pérez C, Obenchain DA, Temelso B, López JC, Schnell M. Quantum Tunneling Facilitates Water Motion across the Surface of Phenanthrene. Journal of the American Chemical Society. PMID 37494139 DOI: 10.1021/jacs.3c04281  0.794
2023 Xie F, Sun W, Hartwig B, Obenchain DA, Schnell M. Hydrogen-Atom Tunneling in a Homochiral Environment. Angewandte Chemie (International Ed. in English). e202308273. PMID 37467465 DOI: 10.1002/anie.202308273  0.627
2023 Dohmen R, Fedosov D, Obenchain DA. Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions. Physical Chemistry Chemical Physics : Pccp. 25: 2420-2429. PMID 36598167 DOI: 10.1039/d2cp04067k  0.367
2022 Singh H, Pinacho P, Obenchain DA, Quesada-Moreno MM, Schnell M. The many forms of alpha-methoxy phenylacetic acid in the gas phase: flexibility, internal dynamics, and their intramolecular interactions. Physical Chemistry Chemical Physics : Pccp. PMID 36326023 DOI: 10.1039/d2cp03962a  0.682
2022 Quesada-Moreno MM, Schnell M, Obenchain DA. Rotational analysis of naphthol-aromatic ring complexes stabilized by electrostatic and dispersion interactions. Physical Chemistry Chemical Physics : Pccp. 24: 1598-1609. PMID 34942639 DOI: 10.1039/d1cp04337d  0.669
2021 Wang H, Chen J, Zheng Y, Obenchain DA, Xu X, Gou Q, Grabow JU, Caminati W. Interaction Types in CH(CH)OH-CO ( = 0-4) Determined by the Length of the Side Alkyl Chain. The Journal of Physical Chemistry Letters. 149-155. PMID 34962816 DOI: 10.1021/acs.jpclett.1c03740  0.661
2021 Lu T, Obenchain DA, Zhang J, Grabow JU, Feng G. Van der Waals interactions of the disulfide bond revealed: A microwave spectroscopic study of the diethyl disulfide-argon complex. The Journal of Chemical Physics. 154: 124306. PMID 33810705 DOI: 10.1063/5.0043615  0.707
2020 Pinacho P, Obenchain DA, Schnell M. New findings from old data: A semi-experimental value for the eQq of the nitrogen atom. The Journal of Chemical Physics. 153: 234307. PMID 33353346 DOI: 10.1063/5.0033071  0.646
2020 Li X, Lu T, Obenchain DA, Zhang J, Herbers S, Grabow JU, Feng G. The Characteristics of Disulfide-Centered Hydrogen Bonds. Angewandte Chemie (International Ed. in English). PMID 33258264 DOI: 10.1002/anie.202014364  0.779
2020 Nair KPR, Herbers S, Bailey WC, Obenchain DA, Lesarri A, Grabow JU, Nguyen HVL. Internal rotation and chlorine nuclear quadrupole coupling in 2-chloro-4-fluorotoluene explored by microwave spectroscopy and quantum chemistry. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 247: 119120. PMID 33189979 DOI: 10.1016/j.saa.2020.119120  0.819
2020 Gottschalk HC, Poblotzki A, Fatima M, Obenchain DA, Pérez C, Antony J, Auer AA, Baptista L, Benoit DM, Bistoni G, Bohle F, Dahmani R, Firaha D, Grimme S, Hansen A, et al. The first microsolvation step for furans: New experiments and benchmarking strategies. The Journal of Chemical Physics. 152: 164303. PMID 32357787 DOI: 10.1063/5.0004465  0.756
2020 Kraus P, Obenchain DA, Herbers S, Wachsmuth D, Frank I, Grabow JU. XeOCS: relatively straightforward? Physical Chemistry Chemical Physics : Pccp. PMID 32101224 DOI: 10.1039/D0Cp00334D  0.769
2020 Jahn MK, Obenchain DA, Nair KPR, Grabow JU, Vogt N, Demaison J, Godfrey PD, McNaughton D. The puzzling hyper-fine structure and an accurate equilibrium geometry of succinic anhydride. Physical Chemistry Chemical Physics : Pccp. PMID 32083625 DOI: 10.1039/C9Cp06775B  0.823
2020 Nair KR, Herbers S, Obenchain DA, Grabow J. Internal methyl rotation and molecular structure of trifluorotoluenes: microwave rotational spectra of 2,3,4- and 2,4,5-trifluorotoluene Canadian Journal of Physics. 98: 543-550. DOI: 10.1139/Cjp-2019-0477  0.837
2020 Signore JA, Falls CB, Stephens SL, Jiménez-Hoyos CA, Obenchain DA, Cooke S, Novick SE. Microwave spectra of a potential four-fold internal rotor, phenylsulfur pentafluoride Journal of Molecular Structure. 1214: 128130. DOI: 10.1016/J.Molstruc.2020.128130  0.76
2020 Obenchain DA, Pinacho P, Zinn S, Schnell M. The low-barrier methyl internal rotation in the rotational spectrum of 3-methylphenylacetylene Journal of Molecular Structure. 1213: 128109. DOI: 10.1016/J.Molstruc.2020.128109  0.443
2019 Gao S, Obenchain DA, Lei J, Feng G, Herbers S, Gou Q, Grabow JU. Tetrel bonds and conformational equilibria in the formamide-CO complex: a rotational study. Physical Chemistry Chemical Physics : Pccp. PMID 30869703 DOI: 10.1039/C9Cp00055K  0.824
2018 Herbers S, Obenchain DA, Kraus P, Wachsmuth D, Grabow JU. Blurring out hydrogen: The dynamical structure of teflic acid. The Journal of Chemical Physics. 148: 194307. PMID 30307200 DOI: 10.1063/1.5027487  0.808
2018 Obenchain DA, Spada L, Alessandrini S, Rampino S, Herbers S, Tasinato N, Mendolicchio M, Kraus P, Gauss J, Puzzarini C, Grabow JU, Barone V. On the way to the Sulfur-Sulfur bridge: accurate structural and energetic charac-terization of a homo chalcogen inter-molecular bond. Angewandte Chemie (International Ed. in English). PMID 30303600 DOI: 10.1002/Anie.201810637  0.824
2018 Luková K, Nesvadba R, Uhlíková T, Obenchain DA, Wachsmuth D, Grabow JU, Urban Š. Ab initio conformational analysis of 1,2,3,4-tetrahydroquinoline and the high-resolution rotational spectrum of its lowest energy conformer. Physical Chemistry Chemical Physics : Pccp. PMID 29770426 DOI: 10.1039/C8Cp00953H  0.822
2018 Kraus P, Obenchain DA, Frank I. Benchmark-Quality Semi-Experimental Structural Parameters of Van Der Waals Complexes. The Journal of Physical Chemistry. A. PMID 29301068 DOI: 10.1021/Acs.Jpca.7B10797  0.679
2018 Herbers S, Obenchain DA, Lengsfeld KG, Kuper H, Becker JA, Grabow J. Thermal self polymerization investigated by microwave molecular spectroscopy – Rotational characterization of the methyl methacrylate dimer Journal of Molecular Spectroscopy. 351: 49-54. DOI: 10.1016/J.Jms.2018.07.007  0.807
2018 Herbers S, Wachsmuth D, Obenchain DA, Grabow J. Rotational characterization of methyl methacrylate: Internal dynamics and structure determination Journal of Molecular Spectroscopy. 343: 96-101. DOI: 10.1016/J.Jms.2017.10.006  0.81
2018 Nair KR, Herbers S, Obenchain DA, Grabow J, Lesarri A. The low internal rotation barriers of halogenated toluenes: Rotational spectrum of 2,4-difluorotoluene Journal of Molecular Spectroscopy. 344: 21-26. DOI: 10.1016/J.Jms.2017.10.003  0.834
2017 Obenchain DA, Frank DS, Grubbs GS, Pickett HM, Novick SE. The covalent interaction between dihydrogen and gold: A rotational spectroscopic study of H2-AuCl. The Journal of Chemical Physics. 146: 204302. PMID 28571327 DOI: 10.1063/1.4983042  0.666
2017 Hansen N, Wullenkord J, Obenchain DA, Graf I, Kohse-Höinghaus K, Grabow J. Microwave spectroscopic detection of flame-sampled combustion intermediates Rsc Advances. 7: 37867-37872. DOI: 10.1039/C7Ra06483G  0.623
2017 Arsenault EA, Obenchain DA, Orellana W, Novick SE. Nuclear quadrupole coupling in SiH2I2 due to the presence of two iodine nuclei Journal of Molecular Spectroscopy. 338: 72-76. DOI: 10.1016/J.Jms.2017.06.001  0.652
2017 Arsenault EA, Obenchain DA, Blake TA, Cooke S, Novick SE. A study of the conformational isomerism of 1-iodobutane by high resolution rotational spectroscopy Journal of Molecular Spectroscopy. 335: 17-22. DOI: 10.1016/J.Jms.2017.03.014  0.77
2016 Long BE, Arsenault EA, Obenchain DA, Choi YJ, Ocola EJ, Laane J, Pringle WC, Cooke SA. Microwave Spectra, Structure, and Ring Puckering Vibration of Octafluorocyclopentene. The Journal of Physical Chemistry. A. PMID 27700086 DOI: 10.1021/Acs.Jpca.6B07554  0.543
2016 Arsenault EA, Obenchain DA, Choi YJ, Blake TA, Cooke SA, Novick SE. A Study of 2-iodobutane by Rotational Spectroscopy. The Journal of Physical Chemistry. A. PMID 27556339 DOI: 10.1021/Acs.Jpca.6B06938  0.783
2016 Kim J, Jang H, Ka S, Obenchain DA, Peebles RA, Peebles SA, Oh JJ. Microwave spectrum of 1-bromobutane Journal of Molecular Spectroscopy. 328: 50-58. DOI: 10.1016/J.Jms.2016.08.004  0.807
2016 Duong CH, Obenchain DA, Cooke S, Novick SE. Rotational spectroscopy of 2H,3H-perfluoropentane Journal of Molecular Spectroscopy. 324: 53-55. DOI: 10.1016/J.Jms.2016.04.008  0.612
2016 Grubbs G, Frank DS, Obenchain DA, Cooke S, Novick SE. The pure rotational spectrum of a Claisen rearrangement precursor Allyl Phenyl Ether using CP-FTMW spectroscopy Journal of Molecular Spectroscopy. 324: 1-5. DOI: 10.1016/J.Jms.2016.04.001  0.734
2015 Grubbs GS, Obenchain DA, Frank DS, Novick SE, Cooke SA, Serrato A, Lin W. A Study of the Monohydrate and Dihydrate Complexes of Perfluoropropionic Acid Using Chirped-Pulse Fourier Transform Microwave (CP-FTMW) Spectroscopy. The Journal of Physical Chemistry. A. 119: 10475-80. PMID 26421936 DOI: 10.1021/Acs.Jpca.5B08347  0.743
2015 Obenchain DA, Frank DS, Novick SE, Klemperer W. The position of deuterium in HOD-NNO as determined by structural and nuclear quadrupole coupling constants. The Journal of Chemical Physics. 143: 084301. PMID 26328837 DOI: 10.1063/1.4928687  0.745
2015 Grubbs GS, Obenchain DA, Pickett HM, Novick SE. Erratum: "H2-AgCl: A spectroscopic study of a dihydrogen complex" [J. Chem. Phys. 141, 114306 (2014)]. The Journal of Chemical Physics. 143: 029901. PMID 26178133 DOI: 10.1063/1.4926540  0.6
2015 Lin W, Wu A, Lu X, Tang X, Obenchain DA, Novick SE. Internal dynamics in the molecular complex of CF3CN and H2O. Physical Chemistry Chemical Physics : Pccp. 17: 17266-70. PMID 26073642 DOI: 10.1039/C5Cp01550B  0.709
2014 Grubbs GS, Obenchain DA, Pickett HM, Novick SE. H₂-AgCl: a spectroscopic study of a dihydrogen complex. The Journal of Chemical Physics. 141: 114306. PMID 25240357 DOI: 10.1063/1.4895904  0.656
2014 Christenholz CL, Obenchain DA, Peebles RA, Peebles SA. Rotational spectroscopic studies of C-H · · · F interactions in the vinyl fluoride · · · difluoromethane complex. The Journal of Physical Chemistry. A. 118: 1610-6. PMID 24564454 DOI: 10.1021/Jp500312R  0.807
2012 Guirgis GA, Overby JS, Palmer MH, Peebles RA, Peebles SA, Elmuti LF, Obenchain DA, Pate BH, Seifert NA. Molecular structure of methyldifluoroisocyanato silane: a combined microwave spectral and theoretical study. The Journal of Physical Chemistry. A. 116: 7822-9. PMID 22757670 DOI: 10.1021/Jp302519H  0.827
2012 Durig JR, Panikar SS, Obenchain DA, Bills BJ, Lohan PM, Peebles RA, Peebles SA, Groner P, Guirgis GA, Johnston MD. Microwave, infrared and Raman spectra, r0 structural parameters, ab initio calculations and vibrational assignment of 1-fluoro-1-silacyclopentane. The Journal of Chemical Physics. 136: 044306. PMID 22299870 DOI: 10.1063/1.3673889  0.783
2012 Bills BJ, Carroll DM, Elliott AA, Obenchain DA, Peebles SA, Peebles RA. Microwave spectrum and structure of pentafluorobenzene Journal of Molecular Structure. 1023: 149-153. DOI: 10.1016/J.Molstruc.2012.04.067  0.806
2012 Christenholz CL, Obenchain DA, Peebles SA, Peebles RA. Reduced bandwidth chirped-pulse microwave spectroscopy for analysis of weakly bound dimers: Rotational spectrum and structural analysis of CH 2ClF⋯FHCCH 2 Journal of Molecular Spectroscopy. 280: 61-67. DOI: 10.1016/J.Jms.2012.06.003  0.785
2012 Grubbs GS, Serrato A, Obenchain DA, Cooke SA, Novick SE, Lin W. The rotational spectrum of perfluoropropionic acid Journal of Molecular Spectroscopy. 275: 1-4. DOI: 10.1016/J.Jms.2012.04.003  0.729
2011 Obenchain DA, Bills BJ, Christenholz CL, Elmuti LF, Peebles RA, Peebles SA, Neill JL, Steber AL. C-H···π interactions in the CHBrF2···HCCH weakly bound dimer. The Journal of Physical Chemistry. A. 115: 12228-34. PMID 21978322 DOI: 10.1021/Jp208603M  0.817
2011 Stidham HD, Laplante AJ, Oh JJ, Obenchain DA, Peebles SA, Peebles RA, Wurrey CJ, Marrow E, Guirgis GA. Microwave and vibrational spectra, ab initio calculations, conformational stabilities and assignments of the fundamentals of the C s conformer of n-butylsilane Journal of Molecular Structure. 1003: 31-40. DOI: 10.1016/J.Molstruc.2010.07.046  0.784
2010 Guirgis GA, Wang Z, Lirjoni J, Palmer MH, Obenchain DA, Peebles RA, Peebles SA. The molecular structure of difluoroisocyanato silane: A combined microwave spectral and theoretical study Journal of Molecular Structure. 983: 5-11. DOI: 10.1016/J.Molstruc.2010.07.044  0.821
2010 Obenchain DA, Elliott AA, Steber AL, Peebles RA, Peebles SA, Wurrey CJ, Guirgis GA. Rotational spectrum of three conformers of 3,3-difluoropentane: Construction of a 480 MHz bandwidth chirped-pulse Fourier-transform microwave spectrometer Journal of Molecular Spectroscopy. 261: 35-40. DOI: 10.1016/J.Jms.2010.03.002  0.808
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