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Daniel A. Obenchain
Researcher at Leibniz University of Hanover
Publications - 49
Citations - 433
Daniel A. Obenchain is an academic researcher from Leibniz University of Hanover. The author has contributed to research in topics: Rotational spectroscopy & Ab initio. The author has an hindex of 11, co-authored 43 publications receiving 346 citations. Previous affiliations of Daniel A. Obenchain include Eastern Illinois University & Wesleyan University.
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Journal ArticleDOI
Unveiling the Sulfur–Sulfur Bridge: Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond
Daniel A. Obenchain,Lorenzo Spada,Silvia Alessandrini,Sergio Rampino,Sven Herbers,Nicola Tasinato,Marco Mendolicchio,Peter Kraus,Jürgen Gauss,Cristina Puzzarini,Jens-Uwe Grabow,Vincenzo Barone +11 more
TL;DR: By combining rotational spectroscopy in supersonic expansion with the capability of state-of-the-art quantum-chemical computations in accurately determining structural and energetic properties, the genuine nature of a sulfur-sulfur chalcogen bond between dimethyl sulfide and sulfur dioxide has been unveiled in a gas-jet environment free from collision, solvent and matrix perturbations.
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Rotational spectrum of three conformers of 3,3-difluoropentane: Construction of a 480 MHz 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,Gamil A. Guirgis +6 more
TL;DR: In this article, the rotational spectra for three conformers of 3,3-difluoropentane have been measured using both a newly constructed narrow bandwidth chirped-pulse Fourier-transform microwave spectrometer and a Balle-Flygare resonant cavity Fourier transform (FFT) microwave spectrameter.
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H2—AgCl: A spectroscopic study of a dihydrogen complex
TL;DR: Quantum chemical calculations predict a strong bonding interaction and the strength of the H2-AgCl complex has been related to reported χ(aa) and Δ(J) values amongst a host of comparable species, including the AgCl monomer itself.
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Rotational spectroscopic studies of C-H · · · F interactions in the vinyl fluoride · · · difluoromethane complex.
TL;DR: Rotational spectra of the normal isotopic species and three (13)C isotopologues of the 1:1 complex between vinyl fluoride and difluoromethane have been measured using 480 MHz bandwidth chirped-pulse Fourier-transform microwave spectroscopy in the 6.5-20 GHz region.
Journal ArticleDOI
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 S. Firaha,Stefan Grimme,Andreas Hansen,Michael E. Harding,Majdi Hochlaf,Christof Holzer,Georg Jansen,Wim Klopper,Wassja A. Kopp,Małgorzata Krasowska,Leif C. Kröger,Kai Leonhard,Muneerah Mogren Al-Mogren,Halima Mouhib,Frank Neese,Max N. Pereira,Muthuramalingam Prakash,Inga S. Ulusoy,Ricardo A. Mata,Martin A. Suhm,Melanie Schnell +32 more
TL;DR: Tests indicate that for systems of this size, a uniform treatment of anharmonicity with systematically improved performance is not yet in sight, and discrepancies between experiment and theory for the isomer abundance are tentatively assigned to electronic structure deficiencies.