Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Robert Medel"'
Publikováno v:
Molecules, Vol 27, Iss 1, p 101 (2021)
Rotational microwave jet spectroscopy studies of the monoterpenol α-fenchol have so far failed to identify its second most stable torsional conformer, despite computational predictions that it is only very slightly higher in energy than the global m
Externí odkaz:
https://doaj.org/article/23a81590f29546f3b53c9cac0c12897b
Autor:
Robert Medel
Publikováno v:
Physical Chemistry Chemical Physics. 23:17591-17605
Models for the quick estimation of energy splittings caused by coherent tunneling of hydrogen atoms are evaluated with available experimental data for alcohols and improvements are proposed. The discussed models are mathematically simple and require
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::815cfe592a73a94ae8d98ea3e213fd13
https://doi.org/10.1039/d1cp02115j
https://doi.org/10.1039/d1cp02115j
Autor:
Robert Medel, Martin A. Suhm
Publikováno v:
Physical Chemistry Chemical Physics. 22:25538-25551
A combination of linear infrared and Raman spectroscopy in supersonic slit jet expansions is used to clarify the conformational preferences in the dimer of the transiently chiral benzyl alcohol (phenylmethanol) under vacuum isolation. By experimental
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4239a0f2060eb765aebc8227dad35b8e
https://doi.org/10.1039/d0cp04825a
https://doi.org/10.1039/d0cp04825a
Publikováno v:
Molecules; Volume 27; Issue 1; Pages: 101
Molecules, Vol 27, Iss 101, p 101 (2022)
Molecules
Molecules, Vol 27, Iss 101, p 101 (2022)
Molecules
Rotational microwave jet spectroscopy studies of the monoterpenol α-fenchol have so far failed to identify its second most stable torsional conformer, despite computational predictions that it is only very slightly higher in energy than the global m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b2c04490e11ec02dc8496b29d28c1cac
https://doi.org/10.20944/preprints202111.0251.v1
https://doi.org/10.20944/preprints202111.0251.v1
Autor:
Robert Medel, Melanie Schnell, Martin A. Suhm, Rizalina Tama Saragi, José A. Fernández, Pablo Pinacho, Alberto Lesarri, Ander Camiruaga, Cristobal Perez
Publikováno v:
Physical chemistry, chemical physics 23(41), 23610-23624 (2021). doi:10.1039/D1CP03508H
Addi. Archivo Digital para la Docencia y la Investigación
instname
Addi. Archivo Digital para la Docencia y la Investigación
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[EN]Molecular aggregation is of paramount importance in many chemical processes, including those in living beings. Thus, characterization of the intermolecular interactions is an important step in its understanding. We describe here the aggregation o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::574ec671d250a209db623a8fcd3b788d
http://hdl.handle.net/10810/53725
http://hdl.handle.net/10810/53725
Autor:
Martin A. Suhm, Robert Medel
Publikováno v:
Physical chemistry chemical physics : PCCP. 23(9)
A model is presented for the prediction of OH stretching fundamental wavenumbers of alcohol conformers in the gas phase by application of a small set of empirical anharmonicity corrections to calculations in the harmonic approximation. In contrast to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::da83ec9486799f10b175accfef9b96e3
https://pubmed.ncbi.nlm.nih.gov/33656038
https://pubmed.ncbi.nlm.nih.gov/33656038
Publikováno v:
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (3), pp.1122-1136. ⟨10.1039/c9cp04943f⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (3), pp.1122-1136. ⟨10.1039/c9cp04943f⟩
International audience; By a combination of linear FTIR and Raman jet spectroscopy, racemic trans-1,2-cyclohexanediol is shown to form an energetically unrivalled S4-symmetric heterochiral dimer in close analogy to 1,2-ethanediol. Analogous experimen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1bcda7dae1735f44dacd3b651016f4c7
https://hal.archives-ouvertes.fr/hal-02473832/file/c9cp04943f.pdf
https://hal.archives-ouvertes.fr/hal-02473832/file/c9cp04943f.pdf
Publikováno v:
Angewandte Chemie (International ed. in English). 58(24)
Chirality recognition between largely rigid molecules can be applied as a benchmark for the description of intermolecular forces by theoretical methods, because one constituent is merely mirrored, so other deficits of the methods such as neglect of a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::21059826a134a23aac37e38e324e02cf
https://pubmed.ncbi.nlm.nih.gov/30985978
https://pubmed.ncbi.nlm.nih.gov/30985978
Publikováno v:
The Journal of Physical Chemistry A. 119:1723-1730
Complexes of t-butyl alcohol with norbornene and its monocyclic constituents cyclopentene and cyclohexene are studied via their OH stretching fundamental transitions in supersonic jet expansions. Compared to OH···OH hydrogen bonds, the spectral sh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1ba7c58db6fcc78670cc25af89587a6d
https://doi.org/10.1021/jp508424p
https://doi.org/10.1021/jp508424p
Publikováno v:
NeuroRehabilitation. 31(1)
Information is presented on a community-based mentoring program, developed to work with existing community agencies and provide structure to the frequently confusing network of services for young adults, ages 16 to 26 years, with a recently acquired
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::edb5ac2e6682c51d56f4820b91f99aa9
https://pubmed.ncbi.nlm.nih.gov/22523017
https://pubmed.ncbi.nlm.nih.gov/22523017