504 research outputs found
Intermolecular Interactions between Aldehydes and Alcohols: Conformational Equilibrium and Rotational Spectra of Acrolein-Methanol Complex
No full textThe rotational spectra of the 1:1 complex formed by acrolein and methanol and its deuterated isotopologues have been analyzed. Two stable conformations in which two hydrogen bonds between the two moieties are formed were detected. The rotational lines show a hyperfine structure due to the methyl group internal rotation in the complex and the V3 barriers hindering the motion were determined as 2.629(5) kJ mol−1 and 2.722(5) kJ mol−1 for the two conformations, respectively. Quantum mechanical calculations at the MP2/aug-cc-pVTZ level and comprehensive analysis of the intermolecular interactions, utilizing NCI and SAPT approaches, highlight the driving forces of the interactions and allow the determination of the binding energies of complex formation
Crossed molecular beam reactive scattering of sulfur atoms: the reactions dynamics of S( 1 D)+ C 2 H 2 and C 2 H 4
No full textRiassunto di presentazione poste
Atmospherically relevant acrolein-water complexes: Spectroscopic evidence of aldehyde hydration and oxygen atom exchange
No full textDirect spectroscopic evidence of a reaction occurring between acrolein and water and involving the exchange of an oxygen atom has been obtained by characterizing the non-covalently bound water complexes and their isotopic forms, via rotational spectroscopy. The experimental geometries of the binary and ternary water complexes have been determined, and other stationary points on the reaction path have been characterized using ab initio quantum chemical methods at the MP2/6-311++G(d,p) level. These results can enhance the understanding of the water-mediated atmospherically important reactions involving acrolein
Record documentation of AFTO 781 series in the aspect of safety of operation of F-16 aircraft at Poznan - Krzesiny airport. Analysis of experience in 2010 - 2020
No full textThe purpose of the article is to present the conclusions and discuss the results of research outcome from the implementation and use of AFTO 781 record documentation in the formation of safety in the process of operation of a multirole aircraft F-16 C/D Block 52+ at Poznan - Krzesiny Airport in 2010 - 2020. Methods: Surveying and analyzing archival documents for comparison in the context of verifying the reliability of data. Results: The result of the conducted research is the presentation of research results and conclusions resulting from several years of use of AFTO 781 record documentation in the process of operation of F-16 C/D Block 52+ multirole aircraft at Poznan - Krzesiny Airport in 2010 - 2020. Conclusions: The main objective of the conducted study was to define the factors determining the functionality of the AFTO 781 series record documentation, in the process of maintaining a certain level of safety in the operation of F-16 aircraft. In addition, the analysis of the results of the study allowed the author to interpret the ability of technical personnel to use the functionality of the AFTO 781 series record documentation in question, as well as to define the following conclusions and proposals for action, in order to minimize the occurrence of potential risks in the operation of aircraft equipment in the future
Dynamics of N( 2 D) reactions with ethane and ethene: a combined crossed-beam and theoretical study
No full textDynamics of N( 2 D) reactions with ethane and ethene: a combined crossed-beam and theoretical study
No full textFIS-PO-5
Combined cross-beam and theoretical studies of the reactions S(1D) + CH4 , C2H2 and C2H4
No full textFIS-PO-5
Combined crossed beam and theoretical studies of the N(2D)+C2H4 reaction and implications for atmospheric models of Titan
No full textThe dynamics of the H-displacement channels in the reaction N(2D) + C2H4 have been investigated by the crossed molecular beam technique with mass spectrometric detection and time-of-flight analysis at two different collision energies (17.2 and 28.2 kJ/mol). The interpretation of the scattering results is assisted by new electronic structure calculations of stationary points and product energetics for the C2H4N ground state doublet potential energy surface. RRKM statistical calculations have been performed to derive the product branching ratio under the conditions of the present experiments and of the atmosphere of Titan. Similarities and differences with respect to a recent study performed in cross beam experiments coupled to ionization via tunable VUV synchrotron radiation are discussed [Lee, S.-H. et al., Phys. Chem. Chem. Phys. 2011, 13, 8515]. Implications for the atmospheric chemistry of Titan are presented
Crossed molecular beam reactive scattering of sulfur atoms: the reaction dynamics of S(1D)+C2H2 and S(1D)+C2H4
No full textEconomic Growth of Agglomerations and Geographic Concentration of Industries – Evidence for Germany
No full textThe vast majority of regions in West Germany, and the EU, have become more similar in terms of per-capita income and productivity between 1980 and 2000. But a number of rich areas - generally large agglomerations - have succeeded in departing from this trend of convergence. They are continuing to rise above the average productivity level. We examine whether this development can also be seen as due to changes in the spatial distribution of economic sectors. Knowledge-intensive services in particular are identified as industries that combine employment growth and further geographical concentration. Logistical and nonparametric regressions confirm a positive relation between the regional weight of sectors that are continuing to concentrate geographically and the probability that this region will develop ahead of the general trend. We find that increasing localisation of fast growing industries is an important factor behind the changes in the spatial pattern of the economy.regional convergence, knowledge-intensive services, industry-specific local linkages, logistical regressions, non-parametric regressions
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