57. "A Pure Rotational Spectroscopic Study of Two Nearly-Equivalent Structures of Hexafluoroacetone Imine, CF3)2C –– NH"
Daniel A. Obenchain, Beppo Hartwig, Daniel J. Frohman, GS Grubbs II, BE Long, Wallace C. Pringle, Stewart E. Novick, and SA Cooke, Molecules, 30(9), 2051, 2025. 10.3390/molecules30092051
56. "Tautomer identification troubles: The molecular structure of itaconic and citraconic anhydride revealed by rotational spectroscopy"
Alexander Kanzow, Beppo Hartwig, Philipp Buschmann, Kevin G Lengsfeld, Cara Marie H¨ohne, Joshua Sky Hoke, Finn Kn¨uppe, Finn Louis K¨oster, Jakob Klaas van Spronsen, Jens-Uwe Grabow, Daniel A Obenchain, Phys. Chem. Chem. Phys., 27, 9491-9503, 2025. 10.1039/D5CP00389J
55. “Varying Projection Quality of Good Local Electric Field Gradients of Monochlorobenzaldehydes”
Robin Dohmen, Sean Arnold, Jessica Garrett, Beate Kempken, Pablo Pinacho, Melanie Schnell, Gordon G. Brown, Daniel A. Obenchain, J. Phys. Chem. A., 129, 4, 860–873, 2025. 10.1021/acs.jpca.4c04915
54. "Dispersion control over molecule cohesion: The tipping power of aromatic rings"
Ricardo Mata, Daniel Obenchain, Martin Suhm, Acc. Chem. Res. 57 (8), 1077-1086, 2024. 10.1021/acs.accounts.3c00664
53. "Weak hydrogen bonding to halogens and chirality communication in propanols: Raman and microwave spectroscopy benchmark theory"
Beppo Hartwig, Melanie Schnell, Martin A. Suhm, and Daniel A. Obenchain, Phys. Chem. Chem. Phys., 26, 9432-9452 (2024). 10.1021/acs.jpca.4c04915
52. "Gas-Phase Characterization of Adipic Acid, 6-Hydroxycaproic Acid, and Their Thermal Decomposition Products by Rotational Spectroscopy"
Wenhao Sun, Pablo Pinacho, Daniel A. Obenchain, and Melanie Schnell, J. Phys. Chem. Lett. 15 (3), 817-825 (2024). 10.1021/acs.jpclett.3c02969
51. "Hydrogen-Atom Tunneling in a Homochiral Environment"
Fan Xie, Wenhao Sun, Beppo Hartwig, Daniel A. Obenchain, and Melanie Schnell, Angew. Chem. Int. Ed., 62, (37) e202308273 (2023). 10.1021/acs.jpclett.3c02969
50. "Quantum Tunneling Facilitates Water Motion across the Surface of Phenanthrene"
Donatella Loru, Amanda L Steber, Crist'obal P'erez, Daniel A Obenchain, Berhane Temelso, Juan CL'opez, and Melanie Schnell, JACS, 145, (31) 17201-17210 (2023). 10.1021/jacs.3c04281
49. "Conformational analysis of cyclohexyl hydroperoxide by rotational spectroscopy"
Pablo Pinacho, Wenhao Sun, Daniel A Obenchain, and Melanie Schnell, J. Mol. Spectrosc., 392, 111758, (2023). 10.1016/j.jms.2023.111758
48. "Structures of the (Imidazole)nH+· · · Ar (n=1,2,3) complexes determined from IR spectroscopy and quantum chemical calculations"
Denis S. Tikhonov, Valeriu Scutelnic, Dmitry I. Sharapa, Alina A. Krotova, Alena V. Dmitrieva, Daniel A. Obenchain, and Melanie Schnell, Struct. Chem., 34, (1) 203-213 (2023). 10.1007/s11224-022-02053-4
47. "Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions"
Robin Dohmen, Denis Fedosov, and Daniel A Obenchain, Phys. Chem. Chem. Phys., 25, (3) 2420-2429 (2023). https://doi.org/10.1039/D2CP04067K
46. "Rotational spectra and conformational analysis of 2-bromobutane"
Heesu Jang, Jihyun Kim, Soohyun Ka, Daniel A. Obenchain, Rebecca A. Peebles, Sean A. Peebles, and Jung Jin Oh, J. Mol. Spectrosc., 1252, 132148 (2022). https://doi.org/10.1016/j.molstruc.2021.132148
45. "The many forms of alpha-methoxy phenylacetic acid in the gas phase: flexibility, internal dynamics, and their intramolecular interactions"
Himanshi Singh, Pablo Pinacho, Daniel A. Obenchain, Mar´ıa Mar Quesada-Moreno, and Melanie Schnell, Phys. Chem. Chem. Phys., 24, (44) 27312-27320 (2022). https://doi.org/10.1039/D2CP03962A
44. "Rotational analysis of naphthol-aromatic ring complexes stabilized by electrostatic and dispersion interactions"
Maria Mar Quesada-Moreno, Melanie Schnell, and Daniel A. Obenchain, Phys. Chem. Chem. Phys., 24, (3) 1598-1609 (2022). https://doi.org/10.1039/D1CP04337D
43. "Interaction Types in C6H5(CH2) nOH (n = 0–4) Determined by the Length of the Side Alkyl Chain"
Hao Wang, Junhua Chen, Yang Zheng, Daniel A. Obenchain, Xuefang Xu, Qian Gou, Jens-Uwe Grabow, and Walther Caminati, J. Phys Chem. Lett., 13, 149-155 (2021). https://doi.org/10.1021/acs.jpclett.1c03740
42. "Van der Waals interactions of the disulfide bond revealed: A microwave spectroscopic study of the diethyl disulfide–argon complex"
Tao Lu, Daniel A. Obenchain, Jiaqi Zhang, Jens-Uwe Grabow, and Gang Feng, J. Chem. Phys., 154, (12) 124306 (2021). https://doi.org/10.1063/5.0043615
41. "The Characteristics of Disulfide-Centered Hydrogen Bonds"
Xiaolong Li, Tao Lu, Daniel A Obenchain, Jiaqi Zhang, Sven Herbers, Jens-Uwe Grabow, and Gang Feng, Angew. Chem. Int. Ed., 60, 11, 5838-5842 (2021). https://doi.org/10.1002/anie.202014364
40. "New Findings from Old Data: A Semi-Experimental Value for the eQq of the Nitrogen Atom"
Pablo Pinacho, Daniel A. Obenchain, and Melanie Schnell, J. Phys. Chem. Lett., 153,234307 (2020). https://doi.org/10.1063/5.0033071
39. "Internal Rotation and Chlorine Nuclear Quadrupole Coupling in 2-chloro-4-fluorotoluene Explored by Microwave Spectroscopy and Quantum Chemistry"
KP Rajappan Nair, Sven Herbers, William C. Bailey, Daniel A. Obenchain, Alberto Lesarri, Jens-Uwe Grabow, and Ha Vinh Lam Nguyen, Spectrochim. Acta 247 119120 (2020). https://doi.org/10.1016/j.saa.2020.119120
38. "The First Microsolvation Step for Furans: New Experiments and Benchmarking Strategies"
Hannes C. Gottschalk, Anja Poblotzki, Mariyam Fatima, Daniel A. Obenchain, Cristobal Perez, Jens Antony, Alexander A. Auer, Leonardo Baptista, David M. Benoit, Giovanni Bistoni, Fabian Bohle, Rahma Dahmani, Dzmitry Firaha, Stefan Grimme, Andreas Hansen, Michael E. Harding, Majdi Hochlaf, Christof Holzer, Georg Jansen, Wim Klopper, Wassja A. Kopp, Malgorzata Krasowska, Leif C. Kr¨oger, Kai Leonhard, Muneerah Mogren Al-Mogren, Halima Mouhib, Frank Neese, Max N. Pereira, Muthuramalingam Prakash, Inga S. Ulusoy, Ricardo A. Mata, Martin A. Suhm, and Melanie Schnell, J. Chem. Phys. 152, 164303 (2020). https://doi.org/10.1063/5.0004465
37. "Microwave Spectra of a Potential Four-Fold Internal Rotor, phenylsulfurpentafluoride"
Signore JA, Falls CB, Stephens SL, Jim´enez-Hoyos CA, Obenchain DA, Cooke SA, Novick SE, J. Mol. Struct. 1214, 128130 (2020). https://doi.org/10.1016/j.molstruc.2020.128130
36. "The Low-Barrier Methyl Internal Rotation in the Rotational Spectrum of 3-methylphenylacetylene"
Obenchain, DA, Pinacho, P., Zinn, S., Schnell, M., J. Mol. Struct. 1213, 128109 (2020). https://doi.org/10.1016/j.molstruc.2020.128109
35. "Xe· · · OCS: Relatively Straightforward?"
Kraus, P., Obenchain, DA, Herbers, S., Wachsmuth, D., Frank, I., Grabow, J.-U., Phys. Chem. Chem. Phys. 22 (10), 5615-5624 (2020). https://doi.org/10.1039/D0CP00334D
34. "Internal Methyl Rotation and Molecular Structure of trifluorotoluenes: Microwave Rotational Spectra of 2,3,4- and 2,4,5-trifluorotoluene"
Nair, KPR, Herbers, S., Obenchain, DA, Grabow, J.-U., Can. J. Phys. 98 (6), 543-550 (2020). https://doi.org/10.1139/cjp-2019-0477
33. "Barrier to Internal Rotation, Symmetry and Carbonyl Reactivity in Methyl 3,3,3-trifluoropyruvate"
Lengsfeld, KG, Buschmann, P., Kats, P., Siekmann, D., Herbers, S., Obenchain, DA, Genuit, S., H¨ohne, CM, Grabow, J.-U., Z. Phys Chem. (2020). https://doi.org/10.1515/zpch-2020-0008
32. "The Puzzling Hyper-Fine Structure and an Accurate Equilibrium Geometry of Succinic Anhydride"
Jahn, MK, Obenchain, DA, Nair, KPR, Grabow, J.-U., Vogt, N., Demaison, J., Godfrey, PD, McNaughton, D., Phys. Chem. Chem. Phys. 22, 5170-5177 (2020). https://doi.org/10.1039/C9CP06775B
31. "Tetrel Bond and Conformational Equilibria in the Formamide - CO2 Complex: A Rotational Study"
Shuang Gao, Daniel A. Obenchain, JunChen Lei, Sven Herbers, Qian Gou, Gang Feng, and Jens-Uwe Grabow, Phys. Chem. Chem. Phys. 21, 7016 (2019).https://doi.org/10.1039/C9CP00055K
30. "Unveiling the sulfur-sulfur bridge: accurate structural and energetic characterization of a homo chalcogen inter-molecular bond"
Daniel A. Obenchain, Lorenzo Spada, S. Herbers, Silvia Alessandrini, Nicola Tasinato, Marco Mendolicchio, Sergio Rampino, J¨urgen Gauss, Cristina Puzzarini, Jens-Uwe Grabow and Vincenzo Barone, Angew. Chem. Int. Ed. 57, 15822-15826 (2017).https://doi.org/10.1002/anie.201810637
29. "Ab initio conformational analysis of 1,2,3,4-tetrahydroquinoline and the high-resolution rotational spectrum of its lowest energy conformer"
Katerina Lukova, Radim Nesvadba, Tereza Uhlıkova, Daniel A. Obenchain, Dennis Wachsmuth, Jens-Uwe Grabow, and Stepan Urban, Phys. Chem. Chem. Phys.20,14664-14670, (2018).
28. "Blurring out hydrogen: The dynamical structure of teflic acid"
Sven Herbers, Daniel A. Obenchain, Peter Kraus, Dennis Wachsmuth, and Jens-Uwe Grabow, J. Chem. Phys, 148, 194307, (2018). https://doi.org/10.1016/j.jms.2018.07.007
27. "Thermal self polymerization investigated by microwave molecular spectroscopy – Rotational characterization of the methyl methacrylate dimer"
Sven Herbers, Daniel A. Obenchain, Kevin G. Lengsfeld, Henning Kuper, Jorg A. Becker, and Jens-Uwe Grabow, J. Mol. Spectrosc, 351, 49-54, (2018). https://doi.org/10.1016/j.jms.2018.07.007
26. "Benchmark-quality semi-empirical structural parameters of van der Waals complexes"
Peter Kraus, Daniel A. Obenchain, and Irmgard Frank, J. Phys. Chem. A, 1077-1087, (2018). http://dx.doi.org/10.1021/acs.jpca.7b10797
25. "Rotational characterization of methyl methacrylate: internal dynamics and structure determination"
Sven Herbers, Dennis Wachsmuth, Daniel A. Obenchain, Jens-Uwe Grabow. J. Mol. Spectrosc. 343, 96-101, (2018). https://doi.org/10.1016/j.jms.2017.10.006
24. "The low internal rotation barriers of halogenated toluenes: rotational spectrum of 2,4-difluorotoluene"
Rajappan Nair, Sven Herbers, Daniel A. Obenchain, Dennis Wachsmuth, Jens-Uwe Grabow, and Alberto Lesarri J. Mol. Spectrosc. 344, 21-26 (2018). https://doi.org/10.1016/j.jms.2017.10.003
23. "Microwave spectroscopic detection of flame-sampled combustion intermediates"
Nils Hansen, Julia Wullenkord, Daniel A. Obenchain, Isabelle Graf, Katharina Kohse-Hönighaus, and Jens-Uwe Grabow, RSC ADV. 7, 377867-37872, (2017).
22. "Nuclear quadrupole coupling in SiH2I2 due to the presence of two iodine nuclei"
Eric E. Arsenault, Daniel A. Obenchain, W. Ornella, and Stewart E. Novick., J. Mol. Spectrosc. 338, 72-76 (2017). https://doi.org/10.1016/j.jms.2017.06.001
21. "A study of the conformational isomerism of 1-iodobutane by high resolution rotational spectroscopy"
Eric E. Arsenault, Daniel A. Obenchain, Thomas A. Blake, S. A. Cooke, and Stewart E. Novick., J. Mol. Spectrosc. 335, 17-22, (2017). https://doi.org/10.1016/j.jms.2017.03.014
20. "The covalent interaction between dihydrogen and gold: A rotational spectroscopic study of H2 – AuCl"
Daniel A. Obenchain, G. S. Grubbs II, Herbert M.Pickett, and Stewart E. Novick, J. Chem. Phys., 146 (20), 204302, (2017).https://doi.org/10.1063/1.4983042
19. "Microwave spectra, structure, and ring puckering vibration of octafluorocyclopentene"
B.E. Long, Eric E. Arsenault, Daniel A. Obenchain, Yoon Choi, Ester J. Ocola, Jaan Laane, Wallace C. Pringle, and S. A. Cooke, J. Phys. Chem. A, 120 (43), 8686-8690, (2016). https://doi.org/10.1021/acs.jpca.6b07554
18. "A study of 2-iodobutane by rotational spectroscopy"
Eric E. Arsenault, Daniel A. Obenchain, Yoon Choi, Thomas A. Blacke, S. A. Cooke, and Stewart E. Novick. J. Phys. Chem. A, 120 (36), 7145-7151, (2016).https://doi.org/10.1021/acs.jpca.6b06938
17. "Microwave spectrum of 1-bromobutane"
Jihyum Kim, Heesu Jang, Daniel A. Obenchain, Rebecca A. Peebles, Sean A. Peebles, and Jung Jin Oh, J. Phys. Chem. A, 328, 50-58, (2016).https://doi.org/10.1016/j.jms.2016.08.004
16. "The pure rotational spectrum of a Claisen rearrangement precursor allyl phenyl ether using CP-FTMW spectroscopy"
G. S. Grubbs II, Derek S. Frank, Daniel A. Obenchain, S. A. Cooke, and Stewart E. Novick. J. Mol. Spectrosc. 324, 1-5, (2016).https://doi.org/10.1016/j.jms.2016.04.001
15. "A rotational study of 2H,3H-perfluoropentane"
C. S. Duong, Daniel A. Obenchain, , S. A. Cooke, and Stewart E. Novick. J. Mol. Spectrosc. 324, 53-55, (2016). https://doi.org/10.1016/j.jms.2016.04.008
14. "A study of the monohydrate and dihydrate complexes of perfluoropropionic acid using chirped-pulse fourier transform microwave (CP-FTMW) spectroscopy"
G. S. Grubbs II, Daniel A. Obenchain, Derek S. Frank, Stewart E. Novick, S. A. Cooke, Agapito Serrato III, and Wei Lin, J. Phys. Chem. A 261 (1), 35-40, (2015).https://doi.org/10.1021/acs.jpca.5b08347
13. "The position of deuterium in HOD – NNO as determined by structural and nuclear quadrupole coupling constants"
Daniel A. Obenchain, Derek S. Frank, Stewart E. Novick, and William Klemperer, J. Chem. Phys. 143, 084301, (2015). https://doi.org/10.1063/1.4928687
12. "Internal dynamics in the molecular complex of CF3CN and H2O"
Wei Lin, Anan Wu, Xin Lu, Xiao Tang, Daniel A. Obenchain, and Stewart E. Novick, Phys. Chem. Chem. Phys. 17 (26), 17266-17270 (2015). https://doi.org/10.1039/C5CP01550B
11. "H2 – AgCl: A spectroscopic study of a dihydrogen complex"
G.S. Grubbs II, Daniel A. Obenchain, Herbert M. Pickett, and Stewart E. Novick, J. Chem Phys. 141 (11), 114306 (2014). https://doi.org/10.1063/1.4895904
Erratum: ”H2 – AgCl: A spectroscopic study of a dihydrogen complex”
G.S. Grubbs II, Daniel A. Obenchain, Herbert M. Pickett, and Stewart E. Novick, J. Chem Phys. 143 (2), 029901 (2015).https://doi.org/10.1063/1.4926540
10. "Rotational spectroscopic studies of C – H· · · F interactions in the vinyl fluoride· · · difluoromethane complex"
Cori L. Christenholz, Daniel A. Obenchain, Rebecca A. Peebles, and Sean A. Peebles, J. Phys. Chem. A 118 (9), 1610-1616 (2014).https://doi.org/10.1021/jp500312r
9. "Reduced bandwidth chirped-pulse microwave spectroscopy for analysis of weakly bound dimers: Rotational spectrum and structural analysis of CH2ClF· · · FHCCH2"
Cori L. Christenholz, Daniel A. Obenchain, Rebecca A. Peebles, and Sean A. Peebles J. Mol. Spectrosc. 280, 61-67 (2012). https://doi.org/10.1016/j.jms.2012.06.003
8. "Microwave spectrum and structure of pentafluorobenzene"
Brandon J. Bills, Danielle M. Carroll, Ashley A. Elliott, Daniel A. Obenchain, Sean A. Peebles, and Rebecca A. Peebles, J. Mol. Struct. 1023, 149-153 (2012). https://doi.org/10.1016/j.molstruc.2012.04.067
7. "Molecular structure of methyldifluoroisocyanato silane: A combined microwave spectral and theoretical study"
Gamil A. Guirgis, Jason S. Overby, Michael H. Palmer, Rebecca A. Peebles, Sean A. Peebles, Lena F. Elmuti, Daniel A. Obenchain, Brooks H. Pate, and Nathan A.Seifert, J. Phys. Chem. A 116 (30), 7822-7829 (2012).https://doi.org/10.1021/jp302519h
6. "The rotational spectrum of perfluoropropionic acid"
G.S. Grubbs, Agapito Serrato III, Daniel A. Obenchain, S.A. Cooke, Stewart E. Novick, and Wei Lin, J. Mol. Spectrosc. 275, 1-4 (2012).https://doi.org/10.1016/j.jms.2012.04.003
5. "Microwave, infrared and raman spectra, r0 structural parameters, ab initio calculations and vibrational assignment of 1-fluoro-1-silacyclopentane"
James R. Durig, Savitha S. Panikar, Daniel A. Obenchain, Brandon J. Bills, Patrick M. Lohan, Rebecca A. Peebles, Sean A. Peebles, Peter Groner, Gamil A. Guirgis, and Michael D. Johnston, J. Chem. Phys. 136, 044306 (2012). https://doi.org/10.1063/1.3673889
4. "CH· · · π interactions in the CHBrF2· · · HCCH weakly bound dimer"
Daniel A. Obenchain, Brandon J. Bills, Cori L. Christenholz, Lena F. Elmuti, Rebecca A. Peebles, Sean A. Peebles, Justin L. Neill, and Amanda L. Steber, J. Phys. Chem. A 115 (44), 12228-12234 (2011). https://doi.org/10.1021/jp208603m
3. "Microwave and vibrational spectra, ab initio calculations, conformational stabilities and assignments of the fundamentals of the Cs conformer of n-butylsilane"
Howard D. Stidham, Arthur J. LaPlante, Jung-Jin Oh, Daniel A. Obenchain, Sean A. Peebles, Rebecca A. Peebles, Charles J. Wurrey, Ethan Marrow, and Gamil A. Guirgis, J. Mol. Struct. 1003 (1), 31-40 (2011). https://doi.org/10.1016/j.molstruc.2011.06.048
2. "The molecular structure of difluoroisocyanato silane: A combined microwave spectral and theoretical study"
Gamil A. Guirgis, Zichao Wang, Jonel Lirjoni, Michael H. Palmer, Daniel A. Obenchain, Rebecca A. Peebles, and Sean A. Peebles, J. Mol. Struct. 983 (1), 5-11 (2011). https://doi.org/10.1016/j.molstruc.2010.07.044
1. "Rotational spectrum of three conformers of 3, 3-difluoropentane: construction of a 480MHz bandwidth chirped-pulse fourier-transform microwave spectrometer"
Daniel A. Obenchain, Ashley A. Elliott, Amanda L. Steber, Rebecca A. Peebles, Sean A. Peebles, Charles J. Wurrey, and Gamil A. Guirgis, J. Mol. Spectrosc. 261(1), 35-40 (2010). https://doi.org/10.1016/j.jms.2010.03.002