A local measure of the electrophilicity has been recently proposed to analyze the chemical reactivity of several kinds of molecules. In this work a theoretical rationalization of the local extension is proposed following the quantitative definition of the molecular electrophilic power and a variational method for the distribution of the transferred charge. A condensation scheme to atoms or frag...

Without certainty about government policies, business decision makers are unable to assess risk and opportunity and make the trade-offs necessary for investment in new technologies. Different policies (R&D, health and safety, economic regulation) have different effects, depending on type of industry and size of firm. Because there are no established standards for judging industry performance, i...

Ab initio calculations reveal that all-metal antiaromatic molecules like Al4M4 (M = Li, Na and K) can be stabilized in half sandwich (Al4M4)Fe(CO)3 and full sandwich (Al4M4)2Ni complexes. The formation of the full sandwich complex [(Al4M4)2Ni] from its organometallic precursor depends on the stability of the organic-inorganic hybrid (C4H4)Ni(Al4Li4).

Kalai, Rubinstein, and Spiegler (2002) propose the rationalization of choice functions that violate the “independence of irrelevant alternatives” axiom through a collection (book) of linear orders (rationales). In this paper we present an algorithm which, for any choice function, gives (i) the minimal number of rationales that rationalizes the choice function, (ii) the composition of such ratio...

We study when two-member household choice behavior is compatible with Pareto optimality. We ask when an external observer of household choices, who does not know the individuals’ preferences, can rationalize the choices as being Pareto-optimal. Our main contribution is to reduce the problem of rationalization to a graph-coloring problem. As a result, we obtain simple tests for Pareto optimal ch...

Ongoing economic uncertainty is imposing stringent cost pressures on organizations across industries. In response, many businesses are prioritizing their investments to drive operational efficiencies and minimize IT spend on their application portfolios. However, several factors — including the expanding size and complexity of the application portfolio, poor license management, rising total cos...

The main purpose was to test the mythical belief that Brazilian soccer teams possess an offensive style of play while Italian teams rely on a defensive game plan. A dominant rationalization for these perceived differences is rooted in the cultural and social differences between the two nations. Data (goals scored, goals conceded, and points per game) from international competitions (World Cup),...

In this paper, we discuss the decision situation where the (vague) preferences are represented by fuzzy relations. There are two ways to interpret this situation: (i) an individual decision maker chooses perfect rankings from a set and uses that combination of rankings as her/his preference ranking. (ii) or a group of decision makers are reporting perfect rankings but their group decision is a ...

During this season, due to high running costs of the slewing loader,an exercise wascarriedout to compare the slewing loader and the hi-capacity Bell loaders. The slewing loader in use at the time was the model with high lift boom mounted on a Ford 6600, modified with a Brockhouse torque converter. The comparison revealed that, under the conditions obtaining at Mgayi section, the Bell loader was...

An asymmetric mechanism for correlated motion occurring in noninteracting pairs of adjacent orthogonal 1,4-bis(carboxyethynyl)bicyclo[1.1.1]pentane (BCP) rotators 1 in the solid state is unraveled and shown to play an important role in understanding the dynamics in the crystalline rotor, Bu4N+[1-]·H2O. Single crystal X-ray diffraction and calculation of rotor-rotor interaction energies combined...