Zobrazeno 1 - 10
of 115
pro vyhledávání: '"Daniel A Obenchain"'
Autor:
Himanshi Singh, Pablo Pinacho, Daniel A. Obenchain, María Mar Quesada-Moreno, Melanie Schnell
Publikováno v:
Physical chemistry, chemical physics 24, 27312-27320 (2022). doi:10.1039/D2CP03962A special issue: "Benchmark Experiments for Numerical Quantum Chemistry"
Physical chemistry, chemical physics 24, 27312 - 27320 (2022). doi:10.1039/D2CP03962A special issue: "Benchmark Experiments for Numerical Quantum Chemistry"
We present a rotational spectroscopy study of alpha-methoxy phenylacetic acid in the gas
We present a rotational spectroscopy study of alpha-methoxy phenylacetic acid in the gas
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ac6ffea7c376032f48bc84ea3a0f9bd3
https://doi.org/10.1039/d2cp03962a
https://doi.org/10.1039/d2cp03962a
Publikováno v:
Physical chemistry chemical physics : PCCP.
Rotational spectroscopy relies on quantum chemical calculations to interpret observed spectra. Among the most challenging molecules to assign are those with additional angular momenta coupling to the rotation, contributing to the complexity of the sp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::63020eccdf2b4952f3923a6e7d82b7d7
https://pubmed.ncbi.nlm.nih.gov/36598167
https://pubmed.ncbi.nlm.nih.gov/36598167
Autor:
Daniel A. Obenchain, Jens-Uwe Grabow, Tao Lu, Xiaolong Li, Jiaqi Zhang, Sven Herbers, Gang Feng
Publikováno v:
Angewandte Chemie. 133:5902-5906
The disulfide-centered hydrogen bonds in the three different model systems of diethyl disulfide⋅⋅⋅H2 O/H2 CO/HCONH2 clusters were characterized by high-resolution Fourier transform microwave spectroscopy and quantum chemical computations. The g
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::97540ce959864fe0675debafc5c8a426
https://doi.org/10.1002/ange.202014364
https://doi.org/10.1002/ange.202014364
Autor:
Hao Wang, Xuefang Xu, Xiao Tian, Xiujuan Wang, Daniel A Obenchain, Wanying Cheng, Qian Gou, Yang Zheng
Publikováno v:
Physical Chemistry Chemical Physics. 23:25784-25788
The rotational spectrum of the 1:1 benzaldehyde-CO2 complex has been investigated by pulsed-jet Fourier transform microwave spectroscopy complemented with quantum chemical calculations. Two isomers, both characterized by one C···O tetrel bond (n
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::20337ac79844673e601094d85324ab51
https://doi.org/10.1039/d1cp03608d
https://doi.org/10.1039/d1cp03608d
Autor:
Sven Herbers, Dirk Siekmann, Kevin G. Lengsfeld, Stefanie Genuit, Philipp Buschmann, Pavel Kats, Cara Marie Höhne, Daniel A. Obenchain, Jens-Uwe Grabow
Publikováno v:
Zeitschrift für Physikalische Chemie. 234:1383-1393
High-resolution rotational spectroscopy was used to investigate the conformational landscape of methyl-3,3,3-trifluoropyruvate, a small, partially-fluorinated molecule, which is of interest because of its chemical properties and reactivity in contras
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7698db0fe3262218905722a569dbfa23
https://doi.org/10.1515/zpch-2020-0008
https://doi.org/10.1515/zpch-2020-0008
Publikováno v:
Canadian Journal of Physics. 98:543-550
The microwave rotational spectra of 2,3,4- and 2,4,5-trifluorotoluenes, along with all13C isotopic species in natural abundance, have been recorded in the frequency range 8–27 GHz employing pulsed-jet Fourier transform microwave spectroscopy. The a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e275a6933f700bb1ed567fa49da60eb6
https://doi.org/10.1139/cjp-2019-0477
https://doi.org/10.1139/cjp-2019-0477
Autor:
Hao, Wang, Junhua, Chen, Yang, Zheng, Daniel A, Obenchain, Xuefang, Xu, Qian, Gou, Jens-Uwe, Grabow, Walther, Caminati
Publikováno v:
The journal of physical chemistry letters. 13(1)
C
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::09dd5790d45daf1fc7bbf63b7e621c68
https://pubmed.ncbi.nlm.nih.gov/34962816
https://pubmed.ncbi.nlm.nih.gov/34962816
Autor:
K.P. Nair, Sven Herbers, Ha Nguyen, Jens-Uwe Grabow, William C. Bailey, Alberto Lesarri, Daniel A. Obenchain
Publikováno v:
Proceedings of the 2021 International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1fa9b9177e81557357d15913bedbefc1
https://doi.org/10.15278/isms.2021.wa03
https://doi.org/10.15278/isms.2021.wa03
Autor:
Himanshi Singh, Pablo Pinacho, María Mar Quesada-Moreno, Melanie Schnell, Daniel A. Obenchain
Publikováno v:
Proceedings of the 2021 International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a18d980def668e399d1e43f7b94868c7
https://doi.org/10.15278/isms.2021.rd08
https://doi.org/10.15278/isms.2021.rd08