Full-dimensional vibrational calculations for H5O2+ using an ab initio potential energy surface

We report quantum diffusion Monte Carlo (DMC) and variational calculations in full dimensionality for selected vibrational states of H5O2+ using a new ab initio potential energy surface [X. Huang, B. Braams, and J. M. Bowman, J. Chem. Phys. 122, 044308 (2005)]. The energy and properties of the zero-point state are focused on in the rigorous DMC calculations. OH-stretch fundamentals are also calculated using "fixed-node" DMC calculations and variationally using two versions of the code MULTIMODE. These results are compared with infrared multiphoton dissociation measurements of Yeh [L. I. Yeh, M. Okumura, J. D. Myers, J. M. Price, and Y. T. Lee, J. Chem. Phys. 91, 7319 (1989)]. Some preliminary results for the energies of several modes of the shared hydrogen are also reported.

Stochastic volatility jump-diffusions for European equity index dynamics

Major research on equity index dynamics has investigated only US indices (usually the S&P 500) and has provided contradictory results. In this paper a clarification and extension of that previous research is given. We find that European equity indices have quite different dynamics from the S&P 500. Each of the European indices considered may be satisfactorily modelled using either an affine model with price and volatility jumps or a GARCH volatility process without jumps. The S&P 500 dynamics are much more difficult to capture in a jump-diffusion framework.

The gender gap in real estate sales: negotiation skill or agent selection?

This study examines differences in net selling price for residential real estate across male and female agents. A sample of 2,020 home sales transactions from Fulton County, Georgia are analyzed in a two-stage least squares, geospatial autoregressive corrected, semi-log hedonic model to test for gender and gender selection effects. Although agent gender seems to play a role in naïve models, its role becomes inconclusive as variables controlling for possible price and time on market expectations of the buyers and sellers are introduced to the models. Clear differences in real estate sales prices, time on market, and agent incomes across genders are unlikely due to differences in negotiation performance between genders or the mix of genders in a two-agent negotiation. The evidence suggests an interesting alternative to agent performance: that buyers and sellers with different reservation price and time on market expectations, such as those selling foreclosure homes, tend to select agents along gender lines.

Probability of survival in a random exchange economy with dependent agents

In this paper I analyze the general equilibrium in a random Walrasian economy. Dependence among agents is introduced in the form of dependency neighborhoods. Under the uncertainty, an agent may fail to survive due to a meager endowment in a particular state (direct effect), as well as due to unfavorable equilibrium price system at which the value of the endowment falls short of the minimum needed for survival (indirect terms-of-trade effect). To illustrate the main result I compute the stochastic limit of equilibrium price and probability of survival of an agent in a large Cobb-Douglas economy.

Characterising the energy performance of centralised HVAC&R systems in the UK

Heating, ventilation, air conditioning and refrigeration (HVAC&R) systems account for more than 60% of the energy consumption of buildings in the UK. However, the effect of the variety of HVAC&R systems on building energy performance has not yet been taken into account within the existing building energy benchmarks. In addition, the existing building energy benchmarks are not able to assist decision-makers with HVAC&R system selection. This study attempts to overcome these two deficiencies through the performance characterisation of 36 HVAC&R systems based on the simultaneous dynamic simulation of a building and a variety of HVAC&R systems using TRNSYS software. To characterise the performance of HVAC&R systems, four criteria are considered; energy consumption, CO2 emissions, thermal comfort and indoor air quality. The results of the simulations show that, all the studied systems are able to provide an acceptable level of indoor air quality and thermal comfort. However, the energy consumption and amount of CO2 emissions vary. One of the significant outcomes of this study reveals that combined heating, cooling and power systems (CCHP) have the highest energy consumption with the lowest energy related CO2 emissions among the studied HVAC&R systems.

Metabolic theory predicts whole-ecosystem properties

Understanding the effects of individual organisms on material cycles and energy fluxes within ecosystems is central to predicting the impacts of human-caused changes on climate, land use, and biodiversity. Here we present a theory that integrates metabolic (organism-based bottom-up) and systems (ecosystem-based top-down) approaches to characterize how the metabolism of individuals affects the flows and stores of materials and energy in ecosystems. The theory predicts how the average residence time of carbon molecules, total system throughflow (TST), and amount of recycling vary with the body size and temperature of the organisms and with trophic organization. We evaluate the theory by comparing theoretical predictions with outputs of numerical models designed to simulate diverse ecosystem types and with empirical data for real ecosystems. Although residence times within different ecosystems vary by orders of magnitude—from weeks in warm pelagic oceans with minute phytoplankton producers to centuries in cold forests with large tree producers—as predicted, all ecosystems fall along a single line: residence time increases linearly with slope = 1.0 with the ratio of whole-ecosystem biomass to primary productivity (B/P). TST was affected predominantly by primary productivity and recycling by the transfer of energy from microbial decomposers to animal consumers. The theory provides a robust basis for estimating the flux and storage of energy, carbon, and other materials in terrestrial, marine, and freshwater ecosystems and for quantifying the roles of different kinds of organisms and environments at scales from local ecosystems to the biosphere.

Do laws influence the cost of real estate brokerage services? A state fixed effects approach

A FTC-DOJ study argues that state laws and regulations may inhibit the unbundling of real estate brokerage services in response to new technology. Our data show that 18 states have changed laws in ways that promote unbundling since 2000. We model brokerage costs as measured by number of agents in a state-level annual panel vector autoregressive framework, a novel way of analyzing wasteful competition. Our findings support a positive relationship between brokerage costs and lagged house price and transactions. We find that change in full-service brokers responds negatively (by well over two percentage points per year) to legal changes facilitating unbundling

Do personality traits predict ‘complaining’ consumers?

Although the effects of personality traits on complaining behaviour emerged in the early 1980s, there is limited research in the service industry. The purpose of this study is to examine whether consumer personality traits influence intentions to complain and whether product price and product types moderate the relationship between personality traits and intentions to complain in the retail industry. The research model is tested by logistic regression analysis on two groups of consumers who report passive and active complaining intentions. The study reveals that conscientious consumers who are open to new experiences tend to have higher intentions to complain. Being extroverted does not have any influence on complaining behaviour. Whilst price levels (low/high) and product types (grocery, clothing and electronics) improve the predictive ability of the complaining behaviour, the interaction effects relating to the three personality traits are statistically insignificant. Theoretical and managerial implications of the study findings are discussed.

Nutritional information of meals supplied by companies, participating in the workers` meal program in Sao Paulo, Brazil

Objective. To compare the nutritional value of meals provided by companies participating in the Workers` Meal Program in the city of Sao Paulo, Brazil, to the nutritional recommendations and guidelines established by the Ministry of Health for the Brazilian population. Methods. The 72 companies studied were grouped according to economic sector (industrial, services, or commerce), size (micro, small, medium, or large), meal preparation modality (prepared on-site by the company itself, on-site by a hired caterer, or off-site by a hired caterer), and supervision by a dietitian (yes or no). The per capita amount of food was determined based on the lunch, dinner, and supper menus for three days. The nutritional value of the meals was defined by the amount of calories, carbohydrates, protein, total fat, polyunsaturated fat, saturated fat, trans fat, sugars, cholesterol, and fruits and vegetables. Results. Most of the menus were deficient in the number of fruits and vegetables (63.9%) and amount of polyunsaturated fat (83.3%), but high in total fat (47.2%) and cholesterol (62.5%). Group 2, composed of mostly medium and large companies, supervised by a dietician, belonging to the industrial and/or service sectors, and using a hired caterer, on averaged served meals with higher calorie content (P < 0.001), higher percentage of polyunsaturated fat (P < 0.001), more cholesterol (P = 0.015), and more fruits and vegetables (P < 0.001) than Group 1, which was composed of micro and small companies from the commercial sector, that prepare the meals themselves on-site, and are not supervised by a dietitian. Regarding the nutrition guidelines set for the Brazilian population, Group 2 meals were better in terms of fruit and vegetable servings (P < 0.001). Group I meals were better in terms of cholesterol content (P = 0.05). Conclusions. More specific action is required targeting company officers and managers in charge of food and nutrition services, especially in companies without dietitian supervision.

SIZE AS A LINE OF LEAST RESISTANCE II: DIRECT SELECTION ON SIZE OR CORRELATED RESPONSE DUE TO CONSTRAINTS?

Evolutionary change in New World Monkey (NWM) skulls occurred primarily along the line of least resistance defined by size (including allometric) variation (g(max)). Although the direction of evolution was aligned with this axis, it was not clear whether this macroevolutionary pattern results from the conservation of within population genetic covariance patterns (long-term constraint) or long-term selection along a size dimension, or whether both, constraints and selection, were inextricably involved. Furthermore, G-matrix stability can also be a consequence of selection, which implies that both, constraints embodied in g(max) and evolutionary changes observed on the trait averages, would be influenced by selection Here, we describe a combination of approaches that allows one to test whether any particular instance of size evolution is a correlated by-product due to constraints (g(max)) or is due to direct selection on size and apply it to NWM lineages as a case study. The approach is based on comparing the direction and amount of evolutionary change produced by two different simulated sets of net-selection gradients (beta), a size (isometric and allometric size) and a nonsize set. Using this approach it is possible to distinguish between the two hypotheses (indirect size evolution due to constraints or direct selection on size), because although both may produce an evolutionary response aligned with g(max), the amount of change produced by random selection operating through the variance/covariance patterns (constraints hypothesis) will be much smaller than that produced by selection on size (selection hypothesis). Furthermore, the alignment of simulated evolutionary changes with g(max) when selection is not on size is not as tight as when selection is actually on size, allowing a statistical test of whether a particular observed case of evolution along the line of least resistance is the result of selection along it or not. Also, with matrix diagonalization (principal components [PC]) it is possible to calculate directly the net-selection gradient on size alone (first PC [PC1]) by dividing the amount of phenotypic difference between any two populations by the amount of variation in PC1, which allows one to benchmark whether selection was on size or not

STABILITY ANALYSIS WITH APPLICATIONS OF A TWO-DIMENSIONAL DYNAMICAL SYSTEM ARISING FROM A STOCHASTIC MODEL FOR AN ASSET MARKET

We analyze the stability properties of equilibrium solutions and periodicity of orbits in a two-dimensional dynamical system whose orbits mimic the evolution of the price of an asset and the excess demand for that asset. The construction of the system is grounded upon a heterogeneous interacting agent model for a single risky asset market. An advantage of this construction procedure is that the resulting dynamical system becomes a macroscopic market model which mirrors the market quantities and qualities that would typically be taken into account solely at the microscopic level of modeling. The system`s parameters correspond to: (a) the proportion of speculators in a market; (b) the traders` speculative trend; (c) the degree of heterogeneity of idiosyncratic evaluations of the market agents with respect to the asset`s fundamental value; and (d) the strength of the feedback of the population excess demand on the asset price update increment. This correspondence allows us to employ our results in order to infer plausible causes for the emergence of price and demand fluctuations in a real asset market. The employment of dynamical systems for studying evolution of stochastic models of socio-economic phenomena is quite usual in the area of heterogeneous interacting agent models. However, in the vast majority of the cases present in the literature, these dynamical systems are one-dimensional. Our work is among the few in the area that construct and study analytically a two-dimensional dynamical system and apply it for explanation of socio-economic phenomena.

Utvärdering av digitala provtryckssystem

Six different Digital Proofing Systems from three different techniques have been evaluated as totechnique, printing quality, economy and usability. Digital proof from two paper qualities, coatedand uncoated, has been compared with references printed in offset, to see how good they match eachother. Only two Proofing Systems manage to print on reference paper. The other Proofing Systemsuse special paper for digital proof.Measurements and visuell judgement show that the Digital Proofing Systems visualise referencepictures with quite good quality. Proof optimised for coated paper visualise the colours with goodresult. Proof optimised for uncoated paper shows higher quality than the references, which depends onthe surface of the proofing paper. Comparison between reference paper and proofing paper has takenplace as to differences in colour and paper quality.The Digital Proofing Systems are fully automatic, which demand a quite comprised education forcorrect handling. The purchase price and printing costs vary considerably between the ProofingSystems.

Applicatiion of Almost ideal demand system for a pharmaceutical

This thesis is an application of the Almost Ideal Demand System approach of Deaton and Muellbauer,1980, for a particular pharmaceutical, Citalopram, in which GORMAN´s (1971) multi-stage budgeting approach is applied basically since it is one of the most useful approach in estimating demand for differentiated products. Citalopram is an antidepressant drug that is used in the treatment of major depression. As for most other pharmaceuticals whose the patent has expired, there exist branded and generic versions of Citalopram. This paper is aimed to define its demand system with two stage models for the branded version and five generic versions, and to show whether generic versions are able to compete with the branded version. I calculated the own price elasticities, and it made me possible to compare and make a conclusion about the consumers’ choices over the brand and generic drugs. Even though the models need for being developed with some additional variables, estimation results of models and uncompensated price elasticities indicated that the branded version has still power in the market, and generics are able to compete with lower prices. One important point that has to be taken into consideration is that the Swedish pharmaceutical market faced a reform on October 1, 2002, that aims to make consumer better informed about the price and decrease the overall expenditures for pharmaceuticals. Since there were not significantly enough generic sales to take into calculation before the reform, my paper covers sales after the reform.

Detaljhandelns användande av frontlinjepersonalen, som betydelsefull faktor för kundrelationer och skapande av intäkt

Syftet med denna studie var att komma fram till om kedjeföretag inom detaljhandeln intagit ett serviceperspektiv, där fokus ligger på relationer. Detta genom att undersöka hur aktörerna använder sin frontlinjepersonal. En kvalitativ flerfallstudie har genomförts där tre kedjeföretag bidragit med information rörande transaktions- eller relationsorienterad försäljning, medarbetarskap och betraktande av frontlinjepersonalen. Utgångspunkten för analys av fallstudierna har varit två intervjuer per företag. Dels med butikens högste chef samt med en medarbetare. Det teoretiska ramverket i denna studie rörande medarbetarskap, skapande av värde/nytta för kund samt intern marknadsföring som möjliggör att kund upplever hög tjänstekvalité, signalerar ett tankesätt inom ett serviceperspektiv och används för att svara på syftet. Huruvida kedjeföretagen intagit ett serviceperspektiv fullt ut, är inte möjligt att konkludera i denna småskaliga forskningsuppsats. Vidare forskning är nödvändig. Resultatet från de undersökta företagen i denna studie visar på tendenser till att utveckla ett serviceperspektiv med fokus på goda kundrelationer, vilket är det som skall ge framgång. De undersökta kedjeföretagen skiljer sig dock åt vad gäller intagandet av ett serviceperspektiv. Exempelvis förlitar sig ett företag alltjämt till lågt pris och produktens egenskaper som primära faktorer för intäktsskapande, medan andra premierar det personliga mötet.

Designing a Remote Navigation System

This project involves the design and implementation of a global electronic tracking system intended for use by trans-oceanic vessels, using the technology of the U.S. Government's Global Positioning System (GPS) and a wireless connection to a networked computer. Traditional navigation skills are being replaced with highly accurate electronics. GPS receivers, computers, and mobile communication are becoming common among both recreational and commercial boaters. With computers and advanced communication available throughout the maritime world, information can be shared instantaneously around the globe. This ability to monitor one's whereabouts from afar can provide an increased level of safety and efficiency. Current navigation software seldom includes the capability of providing upto-the-minute navigation information for remote display. Remote access to this data will allow boat owners to track the progress of their boats, land-based organizations to monitor weather patterns and suggest course changes, and school groups to track the progress of a vessel and learn about navigation and science. The software developed in this project allows navigation information from a vessel to be remotely transmitted to a land-based server, for interpretation and deployment to remote users over the Internet. This differs from current software in that it allows the tracking of one vessel by multiple users and provides a means for two-way text messaging between users and the vesseI. Beyond the coastal coverage provided by cellular telephones, mobile communication is advancing rapidly. Current tools such as satellite telephones and single-sideband radio enable worldwide communications, including the ability to connect to the Internet. If current trends continue, portable global communication will be available at a reasonable price and Internet connections on boats will become more common.