Benchmark Structures and Binding Energies of Small Water Clusters with Anharmonicity Corrections

For (H2O)n where n = 1–10, we used a scheme combining molecular dynamics sampling with high level ab initio calculations to locate the global and many low lying local minima for each cluster. For each isomer, we extrapolated the RI-MP2 energies to their complete basis set limit, included a CCSD(T) correction using a smaller basis set and added finite temperature corrections within the rigid-rotor-harmonic-oscillator (RRHO) model using scaled and unscaled harmonic vibrational frequencies. The vibrational scaling factors were determined specifically for water clusters by comparing harmonic frequencies with VPT2 fundamental frequencies. We find the CCSD(T) correction to the RI-MP2 binding energy to be small (

The interorganizational challenge of agricultural reform in Bosnia and Herzegovina

The case study reported below examines USAID's "Linking Agricultural Markets with Producers" program. This program complemented Bosnia and Herzegovina's overall sustainable agriculture policies. Implementing organizations quickly recognized that sustainability must be achieved not only from an environmental perspective, but in the interorganizational domain as well. Public, private and nonprofit players had to develop the social, economic and political infrastructure required for sustainable agricultural projects to succeed. These institutional changes were at times more difficult than the sustainable agriculture policies and practices they supported. Framed within LAMP's identification of constraints and proposed solutions for agricultural reform, we explored the interorganizational linkages required for success. We identified three distinct types: 1) those within the international community, 2) those within the local community and 3) those between international and local organizations. The case illustrates the institutional and managerial obstacles to and opportunities for implementing sustainable development reforms in transition settings.

[Heterogeneity of costs and performance for penetrating eye injuries and suturing amniotic membranes under DRG conditions : Analysis of case constellations of the G-DRG C01B of the Regensburg University eye clinic]

Patients with penetrating eye injuries are a very heterogeneous group both medically and economically. Since 2009, treatment involving sutures for open eye injuries and cases requiring amniotic membrane transplantation (AMT) were allocated to DRG C01B of the German diagnosis-related group system. However, given the significant clinical differences between these treatments, an inhomogeneity of costs to performance is postulated. This analysis describes case allocation problems within the G-DRG C01B category and presents solutions.

Sensitivity of atmospheric CO2 and climate to explosive volcanic eruptions

Impacts of low-latitude, explosive volcanic eruptions on climate and the carbon cycle are quantified by forcing a comprehensive, fully coupled carbon cycle-climate model with pulse-like stratospheric aerosol optical depth changes. The model represents the radiative and dynamical response of the climate system to volcanic eruptions and simulates a decrease of global and regional atmospheric surface temperature, regionally distinct changes in precipitation, a positive phase of the North Atlantic Oscillation, and a decrease in atmospheric CO2 after volcanic eruptions. The volcanic-induced cooling reduces overturning rates in tropical soils, which dominates over reduced litter input due to soil moisture decrease, resulting in higher land carbon inventories for several decades. The perturbation in the ocean carbon inventory changes sign from an initial weak carbon sink to a carbon source. Positive carbon and negative temperature anomalies in subsurface waters last up to several decades. The multi-decadal decrease in atmospheric CO2 yields a small additional radiative forcing that amplifies the cooling and perturbs the Earth System on longer time scales than the atmospheric residence time of volcanic aerosols. In addition, century-scale global warming simulations with and without volcanic eruptions over the historical period show that the ocean integrates volcanic radiative cooling and responds for different physical and biogeochemical parameters such as steric sea level or dissolved oxygen. Results from a suite of sensitivity simulations with different magnitudes of stratospheric aerosol optical depth changes and from global warming simulations show that the carbon cycle-climate sensitivity γ, expressed as change in atmospheric CO2 per unit change in global mean surface temperature, depends on the magnitude and temporal evolution of the perturbation, and time scale of interest. On decadal time scales, modeled γ is several times larger for a Pinatubo-like eruption than for the industrial period and for a high emission, 21st century scenario.

The Intersection of Economics and Politics in a Small OPEC Country: the Case of Ecuador, 1990 - March 2014

Today, crude oil remains a vital resource all around the world. This non-renewable resource powers countries worldwide. Besides serving as an energy source, crude oil is also the most important component for different world economies, especially in developing countries. Ecuador, a small member of the OPEC oil cartel, presents a case where its economy is oil dependent. A great percentage of the country¿s GDP and government¿s budget comes from oil revenues. Ecuador has always been a primary exporter of raw materials. In the last centuries, the country experienced three important economic booms: cacao, bananas, and, ultimately, crude oil. In this sense, the country has not been able to fully industrialize and begin to export manufactured goods, i.e., Ecuador suffers from the Dutch disease. The latter has deterred Ecuador from achieving broad-based economic development. Given crude oil¿s importance for the Ecuadorian economy, the government has always tried to influence the oil industry in search of profits and benefits. Therefore, this thesis, explores the question: how and to what extent have political interventions affected the oil industry in Ecuador from 1990 until March 2014? In general, this thesis establishes an economic history context during the last twenty-four years, attempting to research how political interventions have shaped Ecuador¿s oil industry and economy. In the analysis, it covers a period where political instability prevailed, until Rafael Correa became president. The thesis examines Ecuador¿s participation in OPEC, trying to find explanations as to why the country voluntarily left the organization in 1992, only to rejoin in 2007 when Correa rose to power. During the ¿Revolución Ciudadana¿ period, the thesis researches reforms to the Law of Hydrocarbons, variations in the relations with other nations, the controversy surrounding the Yasuní-ITT oil block, and the ¿Refinería del Pacífico¿ construction. The thesis is an Industrial Organization detailed case study that analyzes, updates, and evaluates the intersection of economics and politics in Ecuador¿s crude oil industry during the last 24 years. In this sense I have consulted past theses, newspaper articles, books, and other published data about the petroleum industry, both from a global and Ecuadorian perspective. In addition to published sources, I was able to interview sociologists, public figures, history and economics academics, and other experts, accessing unique unpublished data about Ecuador¿s oil industry. I made an effort to collect information that shows the private and public side of the industry, i.e., from government-related and independent sources. I attempted to remain as objective as possible to make conclusions about the appropriate Industrial Organization policy for Ecuador¿s oil industry, addressing the issue from an economic, social, political, and environmental point of view. I found how Ecuador¿s political instability caused public policy to fail, molding the conduct and market structure of the crude oil industry. Throughout history, developed nations have benefited from low oil prices, but things shifted since oil prices began to rise, which is more beneficial for the developing nations that actually possess and produce the raw material. Nevertheless, Ecuador, a victim of the Dutch disease due to its heavy reliance on crude oil as a primary product, has not achieved broad-based development.

A Comparative Study on Higher Education Acts in Bulgaria, Hungary, Poland, Romania and Russia

The original aim of this project was to describe and analyse the higher education acts in force in five Central and Eastern European countries at present, trying to understand the dependence of higher education on the historical traditions, national peculiarities and all-European tendencies. The description and comparison of the main aspects of higher education was supplemented by a study of the possibilities of transferring experience in the field between the five countries and possible solutions to implementing foreign structural and functional models. Questions covered included the role of the state in the management of higher education, the structures of the higher education systems and the organisation of institutions, academic autonomy and the classifications of academic teaching staff, the main trends in the recent development of research, academic degrees, the accreditation of higher education institutions, and the financing of higher education. Popov found that it was almost impossible to understand the dependence of higher education on historical traditions and national peculiarities purely through a study of the relevant legislation. Education traditions in these countries have twice been broken, once with the start of communism (1917 in Russia and 1944-45 in Bulgaria, Hungary, Poland and Romania) and for a second time at the beginning of the 1990s. The most recent higher education acts in all five countries studied have abandoned many of their historical and national traditions, following instead all-European trends as determined by Western Europe, and the project included a study of the dependence on these trends. There were also difficulties in comparing some aspects of higher education as it depended on how far a given aspect has different or common features in the different countries and to what extent the application is comparable. While many possible areas for transferring experience between the five countries were identified, Popov concentrated on those where he felt that there was a real practical possibility of application in view of national academic differences. He concluded by defining some of the challenges facing each country in the field of higher education and by making some predictions as to the developments in the different countries.

Late Pleistocene glaciation in the Central Andes: Temperature versus humidity control A case study from the eastern Bolivian Andes (17°S) and regional synthesis

A glacier–climate model was used to calculate climatic conditions in a test site on the east Andean slope around Cochabamba (17°S, Bolivia) for the time of the maximum Late Pleistocene glaciation. Results suggest a massive temperature reduction of about − 6.4 °C (+ 1.4/− 1.3 °C), combined with annual precipitation rates of about 1100 mm (+ 570 mm/− 280 mm). This implies no major change in annual precipitation compared with today. Summer precipitation was the source for the humidity in the past, as is the case today. This climate scenario argues for a maximum advance of the paleo-glaciers in the eastern cordillera during the global Last Glacial Maximum (LGM, 20 ka BP), which is confirmed by exposure age dates. In a synthesized view over the central Andes, the results point to an increased summer precipitation-driven Late Glacial (15–10 ka BP) maximum advance in the western part of the Altiplano (18°S–23°S), a temperature-driven maximum advance during full glacial times (LGM) in the eastern cordillera, and a pre- and post-LGM (32 ka BP/14 ka BP) maximum advance around 30°S related to increased precipitation and reduced temperature on the western slope of the Andes. The results indicate the importance of understanding the seasonality and details of the mass balance–climate interaction in order to disentangle drivers for the observed regionally asynchronous past glaciations in the central Andes.

Reducing main memory access latency through SDRAM address mapping techniques and access reordering mechanisms

As the performance gap between microprocessors and memory continues to increase, main memory accesses result in long latencies which become a factor limiting system performance. Previous studies show that main memory access streams contain significant localities and SDRAM devices provide parallelism through multiple banks and channels. These locality and parallelism have not been exploited thoroughly by conventional memory controllers. In this thesis, SDRAM address mapping techniques and memory access reordering mechanisms are studied and applied to memory controller design with the goal of reducing observed main memory access latency. The proposed bit-reversal address mapping attempts to distribute main memory accesses evenly in the SDRAM address space to enable bank parallelism. As memory accesses to unique banks are interleaved, the access latencies are partially hidden and therefore reduced. With the consideration of cache conflict misses, bit-reversal address mapping is able to direct potential row conflicts to different banks, further improving the performance. The proposed burst scheduling is a novel access reordering mechanism, which creates bursts by clustering accesses directed to the same rows of the same banks. Subjected to a threshold, reads are allowed to preempt writes and qualified writes are piggybacked at the end of the bursts. A sophisticated access scheduler selects accesses based on priorities and interleaves accesses to maximize the SDRAM data bus utilization. Consequentially burst scheduling reduces row conflict rate, increasing and exploiting the available row locality. Using a revised SimpleScalar and M5 simulator, both techniques are evaluated and compared with existing academic and industrial solutions. With SPEC CPU2000 benchmarks, bit-reversal reduces the execution time by 14% on average over traditional page interleaving address mapping. Burst scheduling also achieves a 15% reduction in execution time over conventional bank in order scheduling. Working constructively together, bit-reversal and burst scheduling successfully achieve a 19% speedup across simulated benchmarks.

Modeling contaminant behavior in Lake Superior : a comparison of PCBs, PBDEs, and mercury

A mass‐balance model for Lake Superior was applied to polychlorinated biphenyls (PCBs), polybrominated diphenyl ethers (PBDEs), and mercury to determine the major routes of entry and the major mechanisms of loss from this ecosystem as well as the time required for each contaminant class to approach steady state. A two‐box model (water column, surface sediments) incorporating seasonally adjusted environmental parameters was used. Both numerical (forward Euler) and analytical solutions were employed and compared. For validation, the model was compared with current and historical concentrations and fluxes in the lake and sediments. Results for PCBs were similar to prior work showing that air‐water exchange is the most rapid input and loss process. The model indicates that mercury behaves similarly to a moderately‐chlorinated PCB, with air‐water exchange being a relatively rapid input and loss process. Modeled accumulation fluxes of PBDEs in sediments agreed with measured values reported in the literature. Wet deposition rates were about three times greater than dry particulate deposition rates for PBDEs. Gas deposition was an important process for tri‐ and tetra‐BDEs (BDEs 28 and 47), but not for higher‐brominated BDEs. Sediment burial was the dominant loss mechanism for most of the PBDE congeners while volatilization was still significant for tri‐ and tetra‐BDEs. Because volatilization is a relatively rapid loss process for both mercury and the most abundant PCBs (tri‐ through penta‐), the model predicts that similar times (from 2 ‐ 10 yr) are required for the compounds to approach steady state in the lake. The model predicts that if inputs of Hg(II) to the lake decrease in the future then concentrations of mercury in the lake will decrease at a rate similar to the historical decline in PCB concentrations following the ban on production and most uses in the U.S. In contrast, PBDEs are likely to respond more slowly if atmospheric concentrations are reduced in the future because loss by volatilization is a much slower process for PBDEs, leading to lesser overall loss rates for PBDEs in comparison to PCBs and mercury. Uncertainties in the chemical degradation rates and partitioning constants of PBDEs are the largest source of uncertainty in the modeled times to steady‐state for this class of chemicals. The modeled organic PBT loading rates are sensitive to uncertainties in scavenging efficiencies by rain and snow, dry deposition velocity, watershed runoff concentrations, and uncertainties in air‐water exchange such as the effect of atmospheric stability.

Igbo Nationalism and Biafra

When I was living in Igboland in 1993 and from 1994 to 1996, there was not much talk about Biafra, the secessionist republic that had been defeated by the Nigerian army in 1970. Not one Igbo politician suggested that his or her people in the southeast of Nigeria should secede again and proclaim a second Biafra. Since 1984, Nigeria had been ruled by the military, and political hopes focused on a return to democracy. Democracy did come in 1999, but it proved a big disappointment. It did not end the marginalisation of the Igbo but led to an increase in the number of ethnic and religious clashes, with Igbo 'migrants' in northern Nigeria as the main victims. It was Nigeria's fourth transition to democracy, and the Igbo lost out again. When I returned to Igboland for brief visits between 2000 and 2007, the option of a new Biafra was widely discussed. Many of my former colleagues at the University of Nsukka seemed to be in favour of the secession project. I talked to supporters of the main separatist organisation, Movement for the Actualisation of a Sovereign State of Biafra (MASSOB), and I discussed the project with members of Ohanaeze, a loose association of Igbo politicians, most of whom had distanced themselves from radical secessionism. In order to learn more about the resurgence of Igbo nationalism, I collected Igbo periodicals. A few of them, such as the New Republic, resembled newspapers; others, like News Round, Eastern Sunset or Weekly Hammer (with eight pages in A4 size), looked more like political pamphlets. Street vendors used back issues as wrapping paper, so they were easy to get. Most of them had been edited not in Igboland, but in Lagos, Nigeria's commercial centre and former capital which is home to a huge Igbo diaspora. Though written in English, these publications are addressed exclusively to an Igbo readership, discussing global and domestic affairs from a nationalist point of view. Articles printed here, no matter their topic, are nationalist in the sense that they assess things from the standpoint of Igbo interests. The same is true of many articles on Igbo websites and of some books and brochures written for an Igbo audience. Another source of information on Igbo nationalism are statements by Igbo governors, ministers, members of parliament and other professional politicians who are quoted in newspapers, such as Vanguard or Guardian, and in weekly magazines such as Newswatch, Tell or The News – all with a Nigeria-wide circulation and a multi-ethnic readership. Nigeria's papers and magazines are among the best in Africa. They try to be balanced in their coverage of ethnic conflicts, and they give reliable information. The same cannot be said of periodicals produced by Igbo nationalists. They provide space for Igbo all over the world to voice their opinions, and they tolerate much controversy, but they are not accurate when reporting facts.