Zobrazeno 1 - 10
of 49
pro vyhledávání: '"Martin Willeke"'
Publikováno v:
CHIMIA, Vol 62, Iss 4 (2008)
We use the dimer (HF???HF) as a model system to understand the dynamics in hydrogen-bonded systems. This particularly simple system has been widely used both in experimental and theoretical studies. Here we focus on the remarkable mode selectivity in
Externí odkaz:
https://doaj.org/article/a4eae692b4394ddca7fe2ed05afbb25d
Publikováno v:
CHIMIA, Vol 58, Iss 5 (2004)
We provide a short review of the scientific meeting defined by the title of this article, which may at the same time serve as a compact review of the field with a substantial number of references to recent work. Exciting new developments in experimen
Externí odkaz:
https://doaj.org/article/9356cb58874a45ae8d8c9602437d6162
Publikováno v:
Controlling. 31:92-97
Publikováno v:
Langmuir. 32:9765-9779
The oxidation of the aniline dimer, p-aminodiphenylamine (PADPA), with Trametes versicolor laccase and O2 in an aqueous solution of pH 3.5 is controlled by negatively charged AOT (sodium bis(2-ethylhexyl) sulfosuccinate) vesicles. With vesicles, a pr
Publikováno v:
Molecular Physics. 114:1135-1147
We report ab initio calculations of the molecular structures of the various Cl2O2 isomers, transition states, vibrational frequencies and vertical excitation energies, as well as the relative energies of the Cl2O2 isomers with respect to 2ClO, ClOO +
Publikováno v:
Helvetica Chimica Acta. 97:1-31
In chemistry textbooks, the pKa,H2O value of water in the solvent water at 25 degrees C is sometimes given as 14.0, sometimes as 15.7. This is confusing. The particular chemical reaction considered is the one in which water as BrOnstedLowry acid reac
Publikováno v:
Molecular Physics. 111:2306-2313
The structure and properties of the cyclopropene radical cation c-C3H+• 4 are investigated by means of quantum chemical methods. The equilibrium geometry of c-C3H+• 4 is found to have C 2 symmetry and a low barrier of 470 cm−1 for stereomutatio
Publikováno v:
Molecular Physics. 106:1303-1316
We report the infrared spectra of dideutero-methyliodide CHD2I in the range from 500 to 12 000 cm−1. Twenty two vibrational bands were assigned to the coupled CH-stretching and bending vibrations of the CH-chromophore. They were analysed in terms o
Publikováno v:
Molecular Physics. 104:2719-2735
High resolution FTIR spectra of the ν4/2ν6 band system in the region 750–850 cm−1 were measured with our Bruker IFS 125 HR Zurich prototype (ZP2001) spectrometer using an instrumental resolution of better than 0.001 cm−1 (FWHM, unapodized or
Publikováno v:
Angewandte Chemie International Edition. 44:3623-3626