Experimental and computational studies of alkali-metal coinage-metal clusters

Coinage and alkali metal mixed clusters, M4Na- (M = Cu, Au) have been investigated experimentally using photoelectron spectroscopy and computationally at correlated ab initio levels. The related Cu4Li-, Ag4Li-, Ag4Na-, and Au4Li- clusters as well as the neutral Cu4Li2 and Cu4Na2 clusters have also been studied computationally. The calculations show that the two lowest isomers of the negatively charged clusters include a pyramidal C4v structure and a planar C2v species. For Cu4Li- and Cu4Na-, the C4v structure is calculated at correlated ab initio level to be 30.9 and 16.9 kJ/mol below the planar C2v isomer, whereas the planar isomers of Au4Li- and Au4Na- are found to be 29.7 and 49.4 kJ/mol below the pyramidal ones. For Ag4Li- and Ag4Na-, the pyramidal isomers are the lowest ones. Comparison of the calculated and measured photoelectron spectra of Cu4Na- and Au4Na- shows that the pyramidal Cu4Na- cluster of C4v symmetry and the planar Au4Na- of C2v symmetry are detected experimentally. Calculations of the magnetically induced current density in Cu4Li- and Cu4Li2 using the Gauge-Including Magnetically Induced Current (GIMIC) method show that strong ring currents are sustained mainly by the highest-occupied molecular orbital primarily derived from the Cu 4s. The GIMIC calculations thus show that the Cu4(2-) ring is -aromatic and that the d orbitals do not play any significant role for the electron delocalization effects. The present study does not support the notion that the square-planar Cu4(2-) is the first example of d-orbital aromatic molecules.     

Complexes of iron and cobalt with new tripodal amido-polyphosphine hybrid ligands

Divalent complexes of iron and cobalt with new, monoanionic tripodal amido-polyphosphine ligands have been thoroughly characterized, and XRD analysis reveals geometries that are distinct for this class of ligand.     

Evolutionary game theory in growing populations

Existing theoretical models of evolution focus on the relative fitness advantages of different mutants in a population while the dynamic behavior of the population size is mostly left unconsidered. We present here a generic stochastic model which combines the growth dynamics of the population and its internal evolution. Our model thereby accounts for the fact that both evolutionary and growth dynamics are based on individual reproduction events and hence are highly coupled and stochastic in nature. We exemplify our approach by studying the dilemma of cooperation in growing populations and show that genuinely stochastic events can ease the dilemma by leading to a transient but robust increase in cooperation.     

Expectation of the truncated randomly weighted sums with dominatedly varying summands

We consider the asymptotic behavior of the values P(S > x), E(S 1_{S>x}), and E(S | S > x). Here S = θ₁X₁ + θ₂X₂ + · · · + θ_nX_n is a randomly weighted sum of the basic random variables X₁,X₂, . . . , X_n, which follow some special dependence structure, and {θ₁, θ₂, . . . , θ_n} is a collection of nonnegative and arbitrarily dependent random weights; the collections {X₁,X₂, . . .,X_n} and {θ₁, θ₂, . . . , θ_n} are supposed to be independent. We derive asymptotic formulas in the case where the number of summands n is fixed and the distributions of the basic random variables are dominatedly varying.We apply them to some values related to the risk measures of certain weighted sums.     

Driving student-centred calculus: results of a comprehensive case study for Kaizen learning in the Sultanate of Oman

The art of teaching freshmen students is undergoing a rapid paradigm change. Classical forms of teaching are not applicable any more and an unmanageable offer of new multimedia tools and concepts is glutting the market. Moreover, compared to previous courses, the class size triples. In view of these challenges, we implemented a new teaching concept best described as Kaizen learning. By Kaizen learning, we define a teaching philosophy that is based on a concise mix of short learning units (with feedback loops and tests) and of carefully chosen repetitions (also with feedback loops and tests) to calibrate a course for the students. Here, this intensive blended, student-centred learning paradigm is analysed together with its direct impact on the students’ performance. This case study leads to easy-to-implement key drivers for successfully teaching science in Oman, such as (1) human–human interaction, (2) clearly communicated expectations, (3) avoidance of a short-term learning attitude, (4) a no-calculator policy, (5) continuous Kaizen learning, and (6) balanced combination of traditional teaching and e-learning.     

A Modeling Perspective on Interpreting Rates of Change in Context

Functions provide powerful tools for describing change, but research has shown that students find difficulty in using functions to create and interpret models of changing phenomena. In this study, we drew on a models and modeling perspective to design an instructional approach to develop students’ abilities to describe and interpret rates of change in the context of exponential decay. In this article, we elaborate the characteristics of the model development sequence and we examine how students interpreted and described non-constant rates of change in context. We provide evidence for how a focus on the context made visible students’ reasoning about rates of change, including difficulties related to the use of language when describing changes in the negative direction. We argue that context and the use of language, forefronted in a modeling approach, should play an important role in supporting the development of students’ reasoning about changing phenomena.