Stretching of BDT-gold molecular junctions: thiol or thiolate termination?

It is often assumed that the hydrogen atoms in the thiol groups of a benzene-1,4-dithiol dissociate when Au-benzene-1,4-dithiol-Au junctions are formed. We demonstrate, by stability and transport property calculations, that this assumption cannot be made. We show that the dissociative adsorption of methanethiol and benzene-1,4-dithiol molecules on a flat Au(111) surface is energetically unfavorable and that the activation barrier for this reaction is as high as 1 eV. For the molecule in the junction, our results show, for all electrode geometries studied, that the thiol junctions are energetically more stable than their thiolate counterparts. Due to the fact that density functional theory (DFT) within the local density approximation (LDA) underestimates the energy difference between the lowest unoccupied molecular orbital and the highest occupied molecular orbital by several electron-volts, and that it does not capture the renormalization of the energy levels due to the image charge effect, the conductance of the Au-benzene-1,4-dithiol-Au junctions is overestimated. After taking into account corrections due to image charge effects by means of constrained-DFT calculations and electrostatic classical models, we apply a scissor operator to correct the DFT energy level positions, and calculate the transport properties of the thiol and thiolate molecular junctions as a function of the electrode separation. For the thiol junctions, we show that the conductance decreases as the electrode separation increases, whereas the opposite trend is found for the thiolate junctions. Both behaviors have been observed in experiments, therefore pointing to the possible coexistence of both thiol and thiolate junctions. Moreover, the corrected conductance values, for both thiol and thiolate, are up to two orders of magnitude smaller than those calculated with DFT-LDA. This brings the theoretical results in quantitatively good agreement with experimental data.

Licenciamento ambiental: diretrizes legais e procedimentos técnicos aplicáveis no Estado de São Paulo

The challenge of coexistence in a socio-economic development with the recuperation and maintenance of environmental quality drove the control instruments implementation and planning of capable activities to cause the environment degradation which detaches the environmental license. However, the expressive number of applicable norms and the fragmented form whose are formulated injure its comprehension and its application. Therefore, the objectives of this present work was raise and discuss in a systematic and integrated form the main lawful directives and its co accounts technical procedures to the environmental license in the State of São Paulo.

A Gestão de Relações Públicas em culturas organizacionais conflituosas: caso AB InBev

Cultural clashes are part of the intercultural relationships, and especially in the organizations, they cause differences interfering in the process of sharing experiences, expertise and coexistence. This study outlines some communicational actions, built to improve the management of intercultural relations in organizations. This study also is related to the sharing and discussions on the communication planning process and its importance in intercultural differences detained and promoting interfaces between public of “different worlds”. The discussion is supported by theoretical theory of organizations and organizational culture in order to demonstrate a number of aspects related to this subject, which are directly accustomed to public relations activities. It also presents an analysis of the multinational AB InBev, in order to illustrate the process of knowledge and relationships that is built through the construction of the meaning in intercultural environments, as is the case of this organization

Mapeamento geológico-estrutural e potencialidade econômica dos arredores de Jacutinga - MG

This monograph presents the data of geological mapping, structural and economic research of an area of about 230 km², in the outskirts of Jacutinga / MG, south of Minas Gerais State and adjacent areas of the northeastern state of São Paulo, in compliance with the discipline of Graduation Course of Geology at the Institute of Geosciences and Exact Sciences. It consists of Socorro-Guaxupé Nappe, developed in response to the collision of cratons Parana and Sao Francisco (630 Ma ago), with mass transit to the east, affected by the coexistence of a system pushes later, with convergence to Northwest, giving rise to the intricate area of interference of the two provinces. Locally there metasedimentary rocks of molasse basin of Proterozoic- Phanerozoic transition called Eleutério; Intrusive, equigranular and porphyroid granits, polyphase, and predominantly granodioritic migmatites Anatexia of structures with different neossomas predominantly granodioritic to granitic in Group Amparo, paragneisses arcosianos, greywacke, aluminous , calc-silicate, mica schists and migmatites of the aluminous migmatites and Itapira Anatexia of multi-phase, with neossomas predominantly granodiorite, with intercalations orthogneissic homogeneous granitic to tonalitic porphyroid composition of the Amparo. We tried to draw a geological map, semi-structural detail of the area in focus, with location of mineral occurrences economically viable operation. Furthermore, this study aims to train students in basic and applied geology, using techniques learned during the undergraduate course.

Períodos de interferência de Mucuna aterrima (Piper & Tracy) em cana-de-açúcar e seu controle químico

Pós-graduação em Agronomia (Produção Vegetal) - FCAV

Relação entre os atributos funcionais e características do habitat em comunidades de girinos

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

O estatuto teórico-metodológico do falado e do escrito para a pesquisa em mudança linguística

The objective of this paper is to reflect on the theoretical and methodological status of oral and written data as a source for investigating linguistic change phenomena. The per - spective we adopt here distances itself from a compartmentalized conception of oral and writ - ten texts writing since it is more closely associated with the writers’ relationship with historically and socially established practices of orality and literacy. We conducted an assessment of some of the specialized literature in order to gather arguments to defend the coexistence of written and oral enunciations, understood not as a form of interference, but as a constitutive blend, which, given its hybrid nature, enables the occurrence of the vernacular data, a locus of change also present in written records.

Spatio-temporal distribution of calling male frogs in Morro do Diabo State Park (Southeastern Brazil): implications for conservation and management in a seasonally dry tropical forest

The aims of this study are to determine how anuran calling males are spatially and temporally distributed in the Morro do Diabo State Park (MDSP), and to test for indicator species in different breeding habitats. We found high species turnover among breeding habitats of different hydroperiods. Our results indicate that spatial partitioning is more important than seasonal occurrence in permitting species coexistence at MDSP. Indicator Species Analysis identified one species associated with a local stream, one species associated with permanent ponds, two species associated with temporary ponds, and three species associated with a semipermanent pond. Guilds of species do not appear to stratify their distributions throughout the year, since most species occur during the rainy and warm months and are thus temporally overlapping. The main conservation implication of our work is the need to protect the different areas of the park where these unique breeding habitats, and their associated anuran assemblages, are found.

Modernização agrícola e a região da Alta Mogiana Paulista: análise da expansão da produção de cana-de-açúcar em uma tradicional região cafeeira

Pós-graduação em Geografia - IGCE

A região de Araraquara e a constituição do local: experiência em desenvolvimento rural a partir do SAI - Sistema Agroindustrial Integrado

The research aims to map and understand the SAI- Integrated Agroindustrial System of SEBRAE, topic program directed to small and medium "rural entrepreneurs". The SAI policy seeks targeted result saiming to qualify productive agents (smallholders) to a "mark et under construction". In the study I high light the "production location", as a constituent en vironment with own productive and defining characteristics of this location and of the productive agent. I aim to perceive the location (region of Araraquara) as a topic en vironment of a type of "alternative "agriculture, that in principle is “parallel” to the large hegemonic model of the economies of scale, of monoculture and concentrative, which in the region is taken as that of the "sugarcane industry". I understand the coexistence of these different models as central to understand the development of capitalism, which I treat as "cognitive capitalism".

Bullying: dimensões psicológicas no desenvolvimento moral

Understanding and assessing the extent of psychological mechanisms that operate in actions of specific violence acts such as bullying can contribute to the discussion of educational interventions that promote moral education as desired by educational institutions. The current research aimed toD correlateD this form of violence called bullying to representations of the self and even to the ways in which the subjects self-regulate themselves in hypothetical situations which pose the problem, thus identifying their moral commitments or non-commitments. The procedures followed to check the presence of these correlationsDindicate that subjects whose self-representations are individualistic are less morally committed and more likely to be perpetrators in bullying situations. This shows that more than a social problem, the issues of coexistence should be treated from a moral perspective.

Naufrágios e outros infortúnios na História Trágico-Marítima da carreira da Índia (Séculos XVI e XVII)

Pós-graduação em História - FCHS

Corpos (con) sentidos: cartografando processos de subjetivação de produto(re)s de corporalidades singulares

Pós-graduação em Psicologia - FCLAS

Vila Sésamo: o contexto político e educacional das duas edições audiovisuais educativas brasileiras

Pós-graduação em Televisão Digital: Informação e Conhecimento - FAAC

A política de assistência social desenvolvida nos CRAS de Sertãozinho para a prevenção da violência doméstica contra crianças e adolescentes

Pós-graduação em Serviço Social - FCHS