Zobrazeno 1 - 10
of 12
pro vyhledávání: '"Wolfgang Gabriel"'
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 339:219-225
Using complete active space self-consistent field electronic wavefunctions the three-dimensional potential energy and electric dipole functions for the lowest two singlet and triplet states of HNS have been generated and used for the evaluation of th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f817434c8f69cfd448caf8b976dc90f5
https://doi.org/10.1016/0166-1280(95)04168-6
https://doi.org/10.1016/0166-1280(95)04168-6
Publikováno v:
Molecular Physics. 81:1445-1461
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4e102f92e809c64e25c34e30b85fe298
https://doi.org/10.1080/00268979400100991
https://doi.org/10.1080/00268979400100991
Autor:
Pavel Rosmus, Wolfgang Gabriel
Publikováno v:
The Journal of Physical Chemistry. 97:12644-12649
Based on ab initio three-dimensional functions of potential energy, electric dipole and transition moments, the rovibronic energy levels, eigenfunctions, and radiative transition probabilitiw have been calculated for several triatomic molecules (H 2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5f3a52469e7326d20c47cfa97f60b758
https://doi.org/10.1021/j100150a028
https://doi.org/10.1021/j100150a028
Publikováno v:
The Journal of Chemical Physics. 99:897-900
Using variational rotational–vibrational wave functions and ab initio electric dipole moment functions, rotational–vibrational line strengths and integrated vibrational band intensities of water vapor have been calculated. The theoretical line st
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::665a8dff1df4422d8baf51148d8e965f
https://doi.org/10.1063/1.465354
https://doi.org/10.1063/1.465354
Publikováno v:
Chemical Physics. 174:45-56
The three-dimensional potential energy and electric dipole moment functions of the X 1 A 1 and a 3 B 1 states of SiH 2 have been calculated from highly correlated CEPA electronic wavefunctions. The analytic representations of these functions have bee
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bda5bbc061ff5695cc19a1bfa90b90be
https://doi.org/10.1016/0301-0104(93)80050-j
https://doi.org/10.1016/0301-0104(93)80050-j
Publikováno v:
The Journal of Physical Chemistry. 96:3285-3293
From the adiabatic three-dimensional potential energy functions of the Renner-Teller components for the electronic ground state X 2 II g , of CO 2 + the ro-vibronic levels have been calculated by a variational approach considering full dimensionality
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::288a112919121408f836876870b024ec
https://doi.org/10.1021/j100187a021
https://doi.org/10.1021/j100187a021
Publikováno v:
Fresenius' Journal of Analytical Chemistry. 342:941-949
The function of solid sampling graphite furnace atomic absorption spectrometry (SS-GFAAS) in the laboratory-internal preparation, production and standardization of several animal tissue reference materials is described. SS-GFAAS is successfully appli
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::48ca092557e15d41066912120fe3413c
https://doi.org/10.1007/bf00322831
https://doi.org/10.1007/bf00322831
Publikováno v:
Molecular Physics. 101:1933-1933
Three-dimensional potential energy functions of the A 2B1-[Xtilde] 2A1 bent-bent Renner-Teller system of NH2 have been generated and used in calculations of the rovibronic energy levels (J ⩽ 9>/2) by a variational approach accounting for anharmonic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::179b1a16b31b8f56bee27e8081dbc4ab
https://doi.org/10.1080/0026897031000112406
https://doi.org/10.1080/0026897031000112406
Autor:
Wolfgang Gabriel, Fritz Beck
Publikováno v:
Journal of Electroanalytical Chemistry and Interfacial Electrochemistry. 182:355-366
PbO2 anodes were used to oxidize cyclohexanone oxime to nitroso compounds in 1 M H2SO4 or 1 M HClO4 in a two electron reaction: Nu− are nucleophiles like OH−, NO−2 and Cl−. The electrode material reacts chemically with the oxime and it is oxi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b599aec441c707a33c8f33b6ebd2cffd
https://doi.org/10.1016/0368-1874(85)87011-8
https://doi.org/10.1016/0368-1874(85)87011-8
Autor:
Fritz Beck, Wolfgang Gabriel
Publikováno v:
Angewandte Chemie. 97:765-767
Preparation d'une nouvelle electrode de ceramique pour catalyse redox a partir de feuilles de Ti recouverte d'une solution d'acetylacetonate de titane dans HNO 3 et chauffee a 450°C. Utilisation de cette electrode pour la reduction du nitrobenzene,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ff8a7ad82439b63d48430e175c4a2d5e
https://doi.org/10.1002/ange.19850970912
https://doi.org/10.1002/ange.19850970912