The effect of counterpoise correction and relaxation energy term to the internal rotation barriers: application to the BF3 ...NH3 and C2H4 ...SO2 dimers

The relevance of the fragment relaxation energy term and the effect of the basis set superposition error on the geometry of the BF3⋯NH3 and C2H4⋯SO2 van der Waals dimers have been analyzed. Second-order Møller-Plesset perturbation theory calculations with the d95(d,p) basis set have been used to calculate the counterpoise-corrected barrier height for the internal rotations. These barriers have been obtained by relocating the stationary points on the counterpoise-corrected potential energy surface of the processes involved. The fragment relaxation energy can have a large influence on both the intermolecular parameters and barrier height. The counterpoise correction has proved to be important for these systems

A new all-round density functional based on spin states and SN2 barriers

We report here a new empirical density functional that is constructed based on the performance of OPBE and PBE for spin states and SN 2 reaction barriers and how these are affected by different regions of the reduced gradient expansion. In a previous study [Swart, Sol̀, and Bickelhaupt, J. Comput. Methods Sci. Eng. 9, 69 (2009)] we already reported how, by switching between OPBE and PBE, one could obtain both the good performance of OPBE for spin states and reaction barriers and that of PBE for weak interactions within one and the same (SSB-sw) functional. Here we fine tuned this functional and include a portion of the KT functional and Grimme's dispersion correction to account for π- π stacking. Our new SSB-D functional is found to be a clear improvement and functions very well for biological applications (hydrogen bonding, π -π stacking, spin-state splittings, accuracy of geometries, reaction barriers)

Drivers and barriers to digital television adoption in Portugal: the perspectives of the TV viewers and other main stakeholders

To understand what are the most significant factors for digital TV adoption by the Portuguese population in the switchover context is the main goal of the research project here presented. In April 26, 2012, the analogue terrestrial television switchoff is planned to occur in Portugal, according to the schedule published by the national telecommunication regulator Anacom. Digital terrestrial TV was launched in the country in April 2009, making Portugal one of the countries with a more ambitious schedule – or risky, depending on the perspective - for the full transition from analogue to digital terrestrial television. In this paper we will start by presenting the research project’s objectives, theoretical framework and research design. Next, we will present first results of the project focused on the barriers and drivers to digital TV adoption from two of the empirical studies which integrate it, namely, the quantitative inquiry administered to a representative sample of the Portuguese population and interviews with main stakeholders in the area of digital TV in Portugal. The perspectives of the television viewers are compared with other main stakeholders in this process. The paper will be concluded with a brief discussion of these results and a brief enumeration of next steps for the project.

Incentives and Barriers to the Adoption of Digital Terrestrial Television in Portugal: Perspectives of the stakeholders involved in the transition process

The success of the transition from analogical terrestrial television to digital terrestrial television – process also known as switch-over – requires the identification of barriers and drivers among the impacted population. Therefore, the study in which this article is based had as main purpose to understand exactly what are those barriers, in order to produce a valid contribution to the several decision makers, and to be able to contribute to a more inclusive television, accessible and transversal to the whole of the population. In that sense, one of the phases of the project consisted in several interviews to key stakeholders in the transition process, the results of which and subsequent recommendations are presented in this article.

Empires, Religion & Trade

The Indian Ocean became the meeting point of two emerging empires in the early 16th century: the Mughal and the Portuguese empires, both different in their nature and objectives. While the Mughals were the dominant land power in the Indian subcontinent, the Portuguese dominated the coastal waters and the sea lanes They influenced each other’s fortunes, and of the region as a whole.

Challenges and barriers to early intervention services for children with hearing impairments between the ages of 0-3 years

This paper discusses early intervention programs in accordance with IDEA for hearing impaired children.

Acoustical barriers to communication and hearing

This study examined the acoustical conditions, including the surface-dimension measurements, background noise levels, and reverberation times in classrooms in a metropolitan area. The data collected in this study will help school administrators realize that appropriate classroom acoustics are necessary for both hearing impaired and normal hearing students.

La Comunidad Andina y su efecto en los procesos de internacionalización industrial: estudio de caso de empresas guayaquileñas en los sectores plástico, alimentos y bebidas (Otros Temas)

At present developing countries have found it necessary to set up integration mechanisms to remove barriers in order to promote trade. For this reason, countries have made efforts to encourage and develop local industries in order to offer attractive products to foreign markets and boost economic growth. In Latin America, the Andean Community (CAN) is one of the oldest integration process in Latin America. Ecuador, like other members of CAN, has had good results as a member of the CAN. Based on survey data this paper overviews some of the experiences, processes implemented, and commercialization efforts undertaken by manufacturing export companies in the manufacturing industrial sector (plastic, food and beverages) in the city of Guayaquil.