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This article examines the effectiveness of the team infomercial assignment as an active learning tool in undergraduate courses. The structure and three phases of the team infomercial assignment, as well as student evaluations and feedback, are presented. We investigated student experiences working on the team infomercial assignment, the common challenges that students faced, and the effective approaches to implementing this assignment in higher education settings. Results show that the team infomercial assignment is instrumental in developing analytical and presentation skills, effective teamwork, reflective learning, and the application of knowledge and skills in future learning. We conclude that the team infomercial assignment is clearly of value to students and provides a benchmark example for instructors interested in employing active learning approaches. (Contains 3 figures and 3 tables.)

This study builds on work by Matveev & Nelson (2004) which investigated the relationship between cross-cultural communication competence and multicultural team performance using American and Russian managers. This study examines [...]

Optical spectra of Cu, Ag, and Au monomers and dimers at regular sites and oxygen vacancies of the MgO(001) surface were studied by time-dependent density functional study. The embedded cluster model was used which provided an accurate description of substrate relaxation and long-range electrostatic interaction.

Single d-metal atoms on oxygen defects F(sub S) and F(sub S)(super +) of the MgO(001) surface are studied using density functional method combined with cluster models, embedded in an elastic polarizable environment. The implication for an experimental detection of metal atoms on oxide supports based on computed core-level energies are discussed.

A novel scheme is presented to calculate electronic g-tensor values of doublet-state systems within a density functional method. The implementation and results of first application of the scheme are discussed. Conceivable improvements of the method performance are proposed and discussed.

We suggest an approximate relativistic model for economical all-electron calculations on molecular systems that exploits an atomic ansatz for the relativistic projection transformation. With such a choice, the projection transformation matrix is by definition both transferable and independent of the geometry. The formulation is flexible with regard to the level at which the projection transformation is approximated; we employ the free-particle Foldy–Wouthuysen and the second-order Douglas-Kroll-Hess variants. The (atomic) infinite-order decoupling scheme shows little effect on structural parameters in scalar-relativistic calculations; also, the use of a screened nuclear potential in the definition of the projection transformation shows hardly any effect in the context of the present work. Applications to structural and energetic parameters of various systems (diatomics AuH, AuCl, and Au2, two structural isomers of Ir4, and uranyl dication UO22+ solvated by 3-6 water ligands) show that the atomic approximation to the conventional second-order Douglas-Kroll-Hess projection (ADKH) transformation yields highly accurate results at substantial computational savings, in particular, when calculating energy derivatives of larger systems. The size-dependence of the intrinsic error of the ADKH method in extended systems of heavy elements is analyzed for the atomization energies of Pdn clusters (n≤=116). [ABSTRACT FROM AUTHOR]

We elaborate the two-component Douglas-Kroll reduction of the Dirac-Kohn-Sham problem of relativistic density-functional theory as introduced by Matveev and Rösch [J. Chem. Phys. 118, 3997 (2003)]. That method retains corrections to the Coulomb self-interaction (or Hartree) term of the energy functional that are due to the picture change. Using analytic expressions for the matrix elements, one is able to abandon the resolution of the identity approach for a crucial step of the relativistic transformation. Thus, a major source of uncertainties of the method is eliminated because basis sets no longer have to be extended by functions of higher angular momentum, previously required to ensure kinetic balance. This approach also relies on the electron charge-density fitting scheme via an auxiliary basis set. An efficient approximate implementation results if one restricts the relativistic transformation to the spherically symmetric atom-centered auxiliary functions. It provides accurate results while simplifying greatly the expressions for the matrix elements of the relativistically transformed operators and significantly reducing the computational effort. We demonstrate the performance of the method for the fine structure of one-electron levels of the Hg atom, the g-tensor shifts of NO2, and the properties of the diatomic molecules Bi2, Pb2, PbO, and TlH. [ABSTRACT FROM AUTHOR]

The reaction path of C-O bond scission in various intermediates of methanol decomposition at the surface of Pd nanoparticles is studied by using density functional (DF) calculations. The experimental data on catalyst poisoning is rationalized from the computational result that the decomposition products C[H.sub.3] and C[H.sub.2] are adsorbed at edge sites of nanoparticles.

Byline: Max Gottlieb, Alexei V. Matveev, Boris Stavrovski In recent years, fast growth in the development and application of e-business technologies has generated vast interest among practising managers and management scholars in inventory database management. E-business technologies enable an inventory manager to make coordinated decisions on the basis of regularly updated and timely ordered information. The dynamic features of the inventory items and inventory locations make a rationally organised time schedule of regular and irregular updates for inventory databases difficult. Using a game theory strategy of optimal regular updates for dynamic databases can significantly lower costs associated with the database update process. This article describes an internet-based solution of creation, maintenance, update, and query of a computerised inventory database for inventory items and their locations with time-dependent (dynamic) and time-independent (static) attributes. Further research opportunities in inventory database management using e-business applications are discussed.