Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Martin Brumm"'
Publikováno v:
Journal of Molecular Spectroscopy. 172:194-204
In a previous paper (W. P. Kraemer, P. Jensen, and P. R. Bunker, Can. J. Phys. 72, 871-878, 1994) we reported the results of an ab initio calculation of the vibronic (i.e., N = 0) energy levels of the CH + 2 molecular ion in both the X 2 A 1 and A 2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::47b68b2cacd3eaf82797c6b1c9cbec43
https://doi.org/10.1006/jmsp.1995.1166
https://doi.org/10.1006/jmsp.1995.1166
Autor:
Philip R. Bunker, Lucy M. Ziurys, W. L. Barclay, Per Jensen, David O. Harris, Yong Ni, M. A. Anderson, Martin Brumm, M. Kolbuszewski
Publikováno v:
Chemical Physics Letters. 239:217-222
Using millimeter wave absorption spectroscopy we have recorded pure rotation spectra of MgOH in its ground vibrational state and in six excited vibrational states. We have also determined a large number of bending vibrational energies, and the MgO
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::32aab466452520cb614cff7795150ea5
https://doi.org/10.1016/0009-2614(95)00479-n
https://doi.org/10.1016/0009-2614(95)00479-n
Publikováno v:
Journal of Molecular Spectroscopy. 171:31-57
For a triatomic molecule, we develop the rovibronic Hamiltonian, basis functions, and matrix elements necessary to allow us to determine the energy levels and wavefunctions in the situation that two potential energy surfaces touch at the linear confi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b3590279b96ecdf3434b0364f76bff91
https://doi.org/10.1006/jmsp.1995.1101
https://doi.org/10.1006/jmsp.1995.1101
Autor:
Sigrid Wocadlo, Jürgen Allwohn, Gernot Frenking, Matthias Hornivius, Werner Massa, Martin Brumm, Friedrich W. Steubert
Publikováno v:
Journal f�r Praktische Chemie/Chemiker-Zeitung. 335:503-514
Synthesis and Conformational Analysis of Pyranophanones and Pyrylophanium Compounds with Intraannular Substituents The synthesis of [3.3]dithiapyranophanone 6 and 11 is accomplished by use of the two-components-dilution-principle. Pyrolysis of their
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dd37c07246327f043b4de3efbe8ea395
https://doi.org/10.1002/prac.19933350603
https://doi.org/10.1002/prac.19933350603
Publikováno v:
ChemInform. 24
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a92e4cf7277fcf9ba6a607d346825e25
https://doi.org/10.1002/chin.199305046
https://doi.org/10.1002/chin.199305046
Autor:
Sigrid Wocadlo, Gernot Frenking, Martin Brumm, Werner Massa, M. Hornivius, F. W. Steubert, Jürgen Allwohn
Publikováno v:
ChemInform. 26
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a4c523dbdca28582589271a067c7d007
https://doi.org/10.1002/chin.199505194
https://doi.org/10.1002/chin.199505194
Publikováno v:
Chemische Berichte. 125:2319-2324
The conformations of a flexible n-heptane chain are considered. Six-membered ring annulation at the inner bonds leads to 1,3-disubstituted cyclohexanes, at the outer bonds to dicyclohexylmethane derivatives. Force-field calculations show that these m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2aabea84b02a8569f38676c25a44d31f
https://doi.org/10.1002/cber.19921251020
https://doi.org/10.1002/cber.19921251020
Publikováno v:
Chemical Physics Letters. 197:330-334
The theoretically predicted harmonic fundamentals at MP2/6-31G(d) and MP2/TZ2P for COCl 2 2 and ONF + 2 3 are in good agreement with the experimentally observed wavenumbers. In contrast, theoretical and experimental wavenumbers for the fundamental mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c3d1bed1a886c7371566f4a235c3c80f
https://doi.org/10.1016/0009-2614(92)85778-9
https://doi.org/10.1016/0009-2614(92)85778-9
Publikováno v:
Chemical Physics Letters. 182:310-314
Ab initio calculations predict that the N—O interatomic distance in Cl 2 NO + , 1 , is 1.16±0.03 A and suggest that the experimental value of 1.30–1.32 A obtained by X-ray structure determination is probably erroneous.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::541230c59ac18bd29e31fa1f0ab1a53b
https://doi.org/10.1016/0009-2614(91)80220-r
https://doi.org/10.1016/0009-2614(91)80220-r
Publikováno v:
PLoS ONE, Vol 12, Iss 7, p e0182156 (2017)
Open-ended questions have routinely been included in large-scale survey and panel studies, yet there is some perplexity about how to actually incorporate the answers to such questions into quantitative social science research. Tools developed recentl
Externí odkaz:
https://doaj.org/article/9fa963c3f1ab4c58844239b423694f3b