Search results for "interaction [electron p]"
showing 10 items of 282 documents
Molecular mechanics models for the image charge, a comment on “including image charge effects in the molecular dynamics simulations of molecules on m…
2017
We re-investigate the image charge model of Iori and Corni (Iori and Corni, J. Comput. Chem. 2008, 29, 1656). We find that a simple symmetrization of their model allows to obtain quantitatively correct results for the electrostatic interaction of a water molecule with a metallic surface. This symmetrization reduces the magnitude of the electrostatic interaction to less than 10% of the total interaction energy. © 2017 Wiley Periodicals, Inc.
Intercultural customer service encounters : a behavioral study of satisfactory and unsatisfactory service outcomes
2012
Ulkomaalaistaustaisten asukkaiden ja turistien määrä Suomessa on kasvanut huomattavasti viime vuosien aikana. Yritysten resurssien ohjaaminen tämän alati kasvavan ja ostovoimaisen asiakaskunnan tarpeiden huomioimiseen voisi edistää asiakaspalvelualan yritysten liiketoimintaa. Tällä hetkellä on kuitenkin epäselvää miten hyvin ulkomaalaisten asiakkaiden erityistarpeet on huomioitu suomalaisessa asiakaspalvelussa. Tutkimuksen tavoitteena oli tutkia asiakastyytyväisyyttä kulttuurienvälisissä asiakaspalvelutilanteissa Suomessa. Kvalitatiivinen tutkimus suoritettiin puoli-strukturoitujen teemahaastatteluiden avulla ja haastateltaviksi valittiin joukko ulkomaalaisia vaihto- ja tutkinto-opiskelijoi…
RPB1 as a marker gene to analyze communities of arbuscular mycorrhizal fungi (Glomeromycota)
2014
The influence of agricultural practice on the diversity of Arbuscular mycorrhizal fungi (AMF, Glomeromycota) continues to be an important research question as these mutualistic symbionts are known to improve plant growth and soil quality. To this day, studies of community diversity in AMF have exclusively been based on nuclear ribosomal gene regions, such as the small and large subunits and the ITS region. In the Glomeromycota, these regions show high intra-organism polymorphism, which can seriously complicate interpretation of diversity data. We chose the rpb1 gene as an alternative marker as this putative single-copy gene has been shown to be monomorphic within fungal isolates but shows a…
Yhtenäiskoulua kohti – opettajien ja rehtorien diskursseja koulukulttuurin muutoksesta
2022
Tässä artikkelissa tarkastellaan yhtenäiskoulun opettajayhteisön sosiaalista todellisuutta, jota rakennetaan ja ylläpidetään vuorovaikutuksen kautta. Tutkimuksen tarkoituksena on selvittää, millaisia konstruktioita tulevan yhtenäiskoulun opettajat ja rehtorit luovat yhtenäisen koulukulttuurin rakentamisesta ja muutokseen sitoutumisesta. Tutkimus on osa opetus- ja kulttuuriministeriön rahoittamaa Uutta luova asiantuntijuus -hanketta. Tutkimusaineisto koostuu kymmenestä tulevan yhtenäiskoulun opettajan ja rehtorin teemahaastattelusta, ja se on analysoitu diskurssianalyysin keinoin. Yhtenäisen koulukulttuurin rakentaminen merkityksellistyy tutkimustuloksissa kolmessa dominoivassa diskurssissa,…
Technology in culture : a theoretical discourse on convergence in human-technology interaction
2014
Technology touches so many facets of contemporary life that one is not necessarily conscious any more of how and why it affects daily experience. Awareness of technology’s role often surfaces only when something goes wrong with a product. At that moment, people become aware of a misalignment between their ways of thinking, feeling and behaving, and the form/function of a product, presumably designed to make life easier. Equally ubiquitous and beyond daily awareness are cognitive, affective, and behavioural processes patterned by culture. It has been noted that cultural factors influence the perception and usage of technology. Understanding these processes is important to researchers, design…
Intraguild interactions between two egg parasitoids of a true bug in semi-field and field conditions.
2014
International audience; Research on interspecific competitive interactions among insect parasitoids has often been characterized by laboratory studies in which host insects are exposed to female parasitoids of different species in various sequences and combinations. In the last years, an increasing number of studies have investigated interspecific interactions under field and semi-field conditions although just a few number of works focused on egg parasitoids. In this work, we undertook a two-year study to investigate interspecific interactions between Trissolcus basalis (Wollaston) (Hymenoptera: Platygastridae) and Ooencyrtus telenomicida (Vassiliev) (Hymenoptera: Encyrtidae), two egg para…
Evaluation eines neuen Softwareassistenten zur automatischen Volumenbestimmung von intrahepatischen Tumoren
2004
Purpose: Computed tomography has become the preferred method in detecting liver carcinomas. The introduction of spiral CT added volumetric assessment of intrahepatic tumors, which was unattainable in the clinical routine with incremental CT due to complex planimetric revisions and excessive computing time. In an ongoing clinical study, a new software tool was tested for the automatic detection of tumor volume and the time needed for this procedure. Materials and Methods: We analyzed patients suffering from hepatocellular carcinoma (HCC). All patients underwent treatment with repeated transcatheter chemoembolization of the hepatic arteria. The volumes of the HCC lesions detected in CT were m…
From experiencing sites of past to the future of the Demolition Man and how graffiti fits to all
2019
This paper explores the possibilities graffiti can provide to research user experience, focusing in those that might emerge in urban environments. The concept of User Experience (UX) can be seen as a consciously experienced phenomenon entailing for example biological, psychological and cultural, spatial and temporal aspects. Graffiti can be used as a tool to study experiences and meanings in physical and social places and practices. This can be done by studying direct experiences while completing a task, but also for example by narratives and memories involving graffiti. As the technology develops, it is incorporated in our lives, becoming more adaptive and virtual. This might have a strong…
Statistical Validation of a Comprehensive Gene/miRNA Expression Profile Dataset for miRNA:mRNA Interaction Analysis
2014
Case-specific performance of MM-PBSA, MM-GBSA, and SIE in virtual screening.
2015
In drug discovery the reliable prediction of binding free energies is of crucial importance. Methods that combine molecular mechanics force fields with continuum solvent models have become popular because of their high accuracy and relatively good computational efficiency. In this research we studied the performance of molecular mechanics generalized Born surface area (MM-GBSA), molecular mechanics Poisson-Boltzmann surface area (MM-PBSA), and solvated interaction energy (SIE) both in their virtual screening efficiency and their ability to predict experimentally determined binding affinities for five different protein targets. The protein-ligand complexes were derived with two different app…