Perverse effects of other-referenced performance goals in an information exchange context

A values-centered leadership model comprised of leader stakeholder and economic values, follower values congruence, and responsible leadership outcomes was tested using data from 122 organizational leaders and 458 of their direct reports. Alleviating same-source bias concerns in leadership survey research, follower ratings of leadership style and follower ratings of values congruence and responsible leadership outcomes were collected from separate sources via the split-sample methodology. Results of structural equation modeling analyses demonstrated that leader stakeholder values predicted transformational leadership, whereas leader economic values were associated with transactional leadership. Follower values congruence was strongly associated with transformational leadership, unrelated to transactional leadership, and partially mediated the relationships between transformational leadership and both follower organizational citizenship behaviors and follower beliefs in the stakeholder view of corporate social responsibility. Implications for responsible leadership and transformational leadership theory, practice, and future research are discussed

Unraveling the mechanism of the manganese-salen epoxidation

Chiral salen-type complexes are valuable catalysts for the antioselective epoxidation of unfunctionlized olefins. The mechanism of this reaction with the manganese-salen complex has always been the subject of an intense debate [1, 2]. The originally proposed mechanism featuring a radical intermediate seems to fail in explaining several experimental observations[3] and various alternatives have been proposed. However the obtained results were highly dependent of the chosen methodology. We will present a methodological study comparing a broad range of DFT functionals with high-level CASSCF calculations [4]. An OPBE functional was shown to be the most performant. Using this functional it is confirmed that the mechanism featuring a radical intermediate is indeed the most likely. Moreover it makes it possible to explain the experimental observations that did not fit in the classical model. For example olefins with a cyclopropane moiety next to the double bound result in a mixture of epoxides and ringopening products depending on the exact reaction conditions. Our calculations show that a radical reaction intermediate can lead to the observed product distribution. This methodology can thus prove to give more insights in the mechanism of this interesting catalyst, allowing it to be optimized further for numerous applications

Feedback type as a moderator of the relationship between achievement goals and feedback reactions

The aim of the current study is to shed new light on the inconsistent relationship between performance-approach (PAp) goals and feedback reactions by examining feedback type as a moderator. Results of a field experiment (N = 939) using a web-based work simulation task showed that the effect of achievement-approach goals was moderated by feedback type. Relative to individuals pursuing mastery-approach goals, individuals pursuing PAp goals responded more negatively to comparative feedback but not to task-referenced feedback. In line with the hypothesized mediated moderation model, the interaction between achievement goals and feedback type also indirectly affected task performance through feedback reactions. Providing employees with feedback is a key psychological principle used in a wide range of human resource and performance management instruments (e.g., developmental assessment centres, multi-source/360 degrees feedback, training, selection, performance appraisal, management education, computer-adaptive testing, and coaching). The current study suggests that organizations need to strike a balance between encouraging learning and encouraging performance, as too much emphasis on comparative performance (both in goal inducement and in feedback style) may be detrimental to employees' reactions and rate of performance improvement

Vibrational fingerprint of the absorption properties of UiO-type MOF materials

The absorption properties of UiO-type metal-organic frameworks are computed using TD-DFT simulations on the organic linkers. A set of nine isoreticular structures, including the UiO-66 and UiO-67 materials and functionalized variants, are examined. The excitation energies from a static geometry optimization are compared with dynamic averages obtained from sampling the ground-state potential energy surface using molecular dynamics. The vibrational modes that impact the excitation energy are identified. This analysis is done using a recently proposed tool based on power spectra of the velocities and the excitation energies. The applied procedure allows including important factors influencing the absorption spectra, such as the periodic framework, linker variation and dynamical effects including harmonic and anharmonic nuclear motions. This methodology allows investigating in detail the vibrational fingerprint of the excitation energy of advanced materials such as MOFs and gives perspectives to tailor materials toward new light-based applications

Omineca Miner, October, 03, 1914

In het innovatieproject PACT trekken wetenschap, praktijk en beleid samen op om de kwaliteit van de pedagogische voorzieningen voor jonge kinderen te versterken. Doel is een inclusieve speelleeromgeving waarin ieder kind mee telt, mee kan doen en zich optimaal kan ontwikkelen. Het middel is het bevorderen van interprofessionele samenwerking tussen kinderopvang, basisonderwijs en zorg. Overal in het land zijn proeftuinen opgezet om die ambitie in praktijk te brengen. Het wetenschapsteam volgde, begeleidde en onderzocht de PACT-proeftuinen met meerdere instrumenten: een kwalitatieve casestudy, de Monitor Interprofessionele Samenwerking en een enquête onder projectleiders naar meetbare resultaten. Deze publicatie gaat over de resultaten van het onderzoek en wordt afgesloten met conclusies en adviezen

Determination of the nature of the Cu coordination complexes formed in the presence of NO and NH3 within SSZ-13

Ammonia-selective catalytic reduction (NH3-SCR) using Cu zeolites is a well-established strategy for the abatement of NOx gases. Recent studies have demonstrated that Cu is particularly active when exchanged into the SSZ-13 zeolite, and its location in either the 6r or 8r renders it an excellent model system for fundamental studies. In this work, we examine the interaction of NH3-SCR relevant gases (NO and NH3) with the Cu2+ centers within the SSZ-13 structure, coupling powder diffraction (PD), X-ray absorption spectroscopy (XAFS), and density functional theory (DFT). This combined approach revealed that, upon calcination, cooling and gas exposure Cu ions tend to locate in the 8r window. After NO introduction, Cu-ions are seen to coordinate to two framework oxygens and one NO molecule, resulting in a bent Cu-nitrosyl complex with a Cu-N-O bond angle of similar to 150 degrees. Whilst Cu seems to be partially reduced/changed in coordination state, NO is partially oxidized. On exposure to NH3 while the PD data suggest the Cu2+ ion occupies a similar position, simulation and XAFS pointed toward the formation of a Jahn-Teller distorted hexaamine complex [Cu(NH3)(6)](2+) in the center of the cha cage. These results have important implications in terms of uptake and storage of these reactive gases and potentially for the mechanisms involved in the NH3-SCR process