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January 2021
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27 Reads
After many years of the representing Chemistry Europe and its predecessors, three of its Presidents are retiring. In this Guest Editorial, their Chemistry Europe Council colleague, Wolfram Koch, looks back on their many contributions to European science publishing. image
February 2018
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9 Reads
Chemistry International
June 2017
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17 Reads
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3 Citations
Die Zeiten des „Elfenbeinturms“ sind vorbei. Die Gesellschaft erwartet, dass Wissenschaftler sich der Verantwortung für die Auswirkungen ihrer Forschung stellen und ihr Tun kritisch reflektieren. Nicht zuletzt ausgelöst durch vielfache Beispiele wissenschaftlichen Fehlverhaltens, werden Wissenschaftler gleichermaßen auch zunehmend hinsichtlich ihrer wissenschaftlichen Praxis hinterfragt. Ethische Leitlinien für wissenschaftliches Arbeiten, die dem Forscher bei der Beurteilung des eigenen Wirkens Hilfestellung geben, sind daher von großer Bedeutung. In diesem Zusammenhang spielen wissenschaftliche Fachgesellschaften eine verantwortungsvolle Rolle, die allerdings erst in der jüngeren Vergangenheit erkannt wurde.
September 2015
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36 Reads
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5 Citations
Toxicological and Environmental Chemistry
The times of the “ivory tower” are over; society expects that scientists accept their responsibility for the consequences of their research. In addition, due to numerous examples of significant misbehavior, scientists are increasingly judged by the general public whether they perform according to good scientific practice. Learned societies play an important role here, which, however, has changed since such societies were established more than 150 years ago. This article addresses these questions with a special focus on the situation in Germany.
August 2015
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30 Reads
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5 Citations
Information Services & Use
Gesellschaft Deutscher Chemiker (GDCh, German Chemical Society) is the owner or co-owner of about 20 internationally renowned scientific journals. This portfolio includes Angewandte Chemie, which is one of the internationally leading chemistry journals worldwide, and ChemistryOpen, which was the first Gold OA journal founded by chemical societies and launched in 2012. At the outset the GDCh makes clear that it explicitly welcomes new approaches in publishing as long as these approaches ensure that they serve the scientific community in the best way possible and are based on a solid and sustainable publishing enterprise. The idea underlying Open Access (OA), namely to make the results of publicly funded research available without barriers, including no financial barriers, is to be strongly supported. A main requirement is that regardless of the technology platform or the underlying business model, the quality of scientific publishing must be maintained. Aside from these basic requirements which apply to any publication model and which are probably consensus within the scientific community, the GDCh position paper addresses some other important aspects related in particular to the transfer to Gold OA, i.e. where the article appears in an Open Access journal that is available free of cost to the reader in the Internet. The the GDCh strongly underlines the freedom of each researcher to decide independently and for themselves whether and if yes in which medium they prefer to communicate their results.
January 2015
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8 Reads
July 2013
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11 Reads
Nachrichten aus der Chemie
March 2013
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8 Reads
March 2013
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11 Reads
Angewandte Chemie
July 2012
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8 Reads
Nachrichten aus der Chemie
... Genuin sozialwissenschaftliche (und vor allem empirische) Beiträge zu den gegenwärtigen Feldern der Chemie sind allerdings noch rar gestreut und beziehen sich im Wesentlichen auf die gesellschaftliche Wahrnehmung (und Kritik) an der Chemie und ihren Industrien (Hampel, 2017), Arbeitsbedingungen in der chemischen Industrie (Streckeisen, 2007;Suckale, 2016), Unterrichtsforschung und Chemiedidaktik sowie Wissenschaftskommunikation und -journalismus (Remenyi et al., 2017). Selbst Überlegungen zu einer Ethik der Chemie sind noch verhältnismäßig jung und ein entsprechendes Forschungsfeld ist erst in den 1990er Jahren entstanden (Koch, 2017). Insbesondere empirische sozial-und kulturwissenschaftliche Zugriffe auf die Felder der Chemie können einen vertiefenden Beitrag zum Verständnis der Chemie als Teil der Gesellschaft ermöglichen. ...
June 2017
... Employing this set in combination with the multi-reference configuration interaction (MRCI) method, the potential curves and spectroscopic constants of the ground and excited states of Te 2 −/0 were predicted. 35 Although there are extensive studies on the Te 2 molecule, no high-resolution spectroscopic research of anionic tellurium dimer has been reported. In the current work, we investigated the resonant photoelectron spectroscopy of a cryogenically cooled Te 2 − anion utilizing the high-resolution slow-electron velocity-map imaging (SEVI) method. ...
October 1997
Molecular Physics
... The interaction between a metal atom or ion and a rare gas atom has been studied in great detail by spectroscopic and theoretical means (Duval et al., 1986;Callender, Mitchell, & Hackett, 1989;Lessen & Brucat, 1989a,b;Schriver et al., 1989;Kemper, Hsu, & Bowers, 1991;Heidecke et al., 1992;Knickelbein & Menezes, 1992;Stangassinger et al., 1993;Willey, Yeh, & Duncan, 1993;Partridge & Bauschlicher, 1994;Buthelezi et al., 1996;Heinemann, Schwarz, & Koch, 1996;Luder & Velegrakis, 1996;Burda, Runeberg, & Pyykkö, 1998;Soldan, Lee, & Wright, 1998, 1999Massaouti, Sfounis, & Velegrakis, 2001;Lozeille et al., 2002;Hickling et al., 2004). For the ion, it is dominated by electrostatic ion induced-dipole interaction, the strength depending on the polarizability of the rare gas atom and the charge and ionic radius of the metal. ...
Reference:
Hydrated metal ions in the gas phase
October 1996
Molecular Physics
... Also the so-called hybrid functionals [41], which mix in exact Hartree-Fock exchange, are becoming more and more popular. The choice of functional is highly dependent on the property or system under study [45,46], and no functional is perfect in all cases. Hence, the development and improvement of exchange-correlation functionals remains the focus of much current research. ...
April 2002
... In ein Manuskript wurden acht Fehler eingebaut. Die 221 eingeladenen Gutachter fanden meist nur zwei Fehler, niemand fand mehr als fünf.35 Gutachter (16 Prozent) fanden gar keinen. ...
Reference:
Preprints in der Chemie
August 2015
Information Services & Use
... Moreover, in certain cases, the discussion and reflection of experts in learned societies effectively decides the future of the disciplines that, in turn, might decide the future of humanity. For example, Koch (2016) gave an account of the positive role the Gesellschaft Deutscher Chemiker (the German Chemical Society) played in shaping the establishment and enforcement of the code of conduct to ensure good scientific practice in Germany. Can the voices, views, and perspectives and even the less grounded 'speculation' of these experts be replaced by the opinions of publishing systems that operate purely for profit and based on the demands of shareholders? ...
September 2015
Toxicological and Environmental Chemistry
... If the promotion energy is decreased, the t ground state will be reached. To this end, electronic, inductive, mesomeric, and steric influences are applied to change the multiplicity of NHCs, NHSis, and NHGes [29][30][31][32][33][34]. For instance, the substituted EDGs increase the 3p-character of Si valence orbitals which leads to t configuration. ...
March 1999
Journal of the American Chemical Society
... Although, it is known that these molecules can be formed during volcanic eruptions [12], as well as in interstellar space [13][14][15]. In paper [16] the geometric parameters of the equilibrium configurations of the trans-and cis-conformers of the HSOSH molecule at the MP2/6-311G** level of theory were calculated. It was found that the energies of their ground states differ insignificantly. ...
April 1995
The Journal of Physical Chemistry
... The main photo-induced effect is the appearance of the ~308 cm − 1 Raman band (Fig. 9a) and its overtones at ~616 cm − 1 and ~922 cm − 1 (Fig. 9b). With a high probability, these are resonance Raman bands of the Se 2 − or Se 3 species which were earlier observed in sodalite, cancrinite and Y zeolite [27,37,40,[47][48][49]. For reference, we show room-temperature (r.t.) RS of CHA-Se obtained at the same condition in Fig. 9c. ...
October 1996
Journal of Solid State Chemistry
... If the linear form is more stable than the centered one (meaning ΔE negative), then there will necessarily be a transition from a gold type (linear) form to a more centered one, as it is known that the solvated Hg 2+ is seven-folded. 20,21,64 If the centered form is already the most stable one, then we can assess that there will not be any 8,9,10,16). In [Hg] n complexes, only the two most important interactions between mercury and water molecules are represented. ...
April 1995
Chemical Physics Letters
