Search results for "Method"

Electronic Mail as a Forum for Argumentative Interaction in Higher Education Studies

1998

This article reports a study in which thirty-one undergraduate students practiced academic argumentation by electronic mail (e-mail). In the two “tutorled” e-mail study groups the discussion topics were selected by the tutor, while in the two self-directed “student-led” groups selection was by the students. The quantity and quality of student-student interaction, and the factors associated with this were investigated. The results indicated that 42 percent of the students' messages (n = 441) were interactive in nature, indicating at least one reference to fellow students' messages. When difficult contents were addressed, interaction in the tutor-led groups was more common than in the studen…

Argumentation Course by Electronic Mail

1997

Abstract This article examines the question of whether electronic‐mail (e‐mail) discussions provide university students with an appropriate and profitable environment for practising argumentation and critical thinking skills. An experiment in which 31 undergraduate students and two tutors engaged in argumentative e‐mail discussions is described. The discussions were related to two set books on the sociology of education. The participants’ perceptions of the discussions and of e‐mail as a study method were evaluated by means of a student questionnaire and tutor interviews. Most of the students found that the discussions included a lot of constructive critique, mutual encouragement and constr…

Application of SQMFF Vibrational Calculations to Transition States:  DFT and ab Initio Study of the Kinetics of Methyl Azide and Ethyl Azide Thermoly…

1998

DFT including nonlocal corrections and ab initio calculations at MP2 and MP4 levels of theory have been performed in order to provide information concerning the mechanism of the rate limiting step of the thermal decomposition of methyl azide and ethyl azide. The chemically interesting points of the ground-state potential energy surface have been fully optimized, and a detailed normal-mode analysis for the reagents and the transition states is presented. The well-established scaled quantum mechanical force field method has been used to obtain reliable vibrational frequencies for these molecular structures. The force fields of transition states have been modified by using the scale factors co…

Energy Barrier: Focus on the Essential: Extracting the Decisive Energy Barrier of a Complex Process (Adv. Mater. Interfaces 20/2019)

2019

Modeling of Point Defects in Corundum Crystals

1994

Several different approaches including Hartree-Fock ab initio cluster calculations, semiempirical INDO calculations, and atom-atom potentials were used for modeling of the spatial and electronic structure as well as migration mechanisms of both intrinsic defects (self-trapped and defect-trapped holes, O and Al vacancies) and impurities (transition-metal ions like Co, Fe, Mg, Mn, Ti). The atomic structure of all hole centers is found to be similar to V[sub K] centers in alkali halides (two-site model); their formation is energetically favorable. The energy required for 60[degree] hole reorientations inside the basic oxygen triangles is found to be similar to both the energy for hops between …

Memory effects and coverage dependence of surface diffusion in a model adsorption system

1999

We study the coverage dependence of surface diffusion coefficients for a strongly interacting adsorption system O/W(110) via Monte Carlo simulations of a lattice-gas model. In particular, we consider the nature and emergence of memory effects as contained in the corresponding correlation factors in tracer and collective diffusion. We show that memory effects can be very pronounced deep inside the ordered phases and in regions close to first and second order phase transition boundaries. Particular attention is paid to the details of the time dependence of memory effects. The memory effect in tracer diffusion is found to decay following a power law after an initial transient period. This beha…

A theoreticalab initiostudy on the H2NO + O3reaction

2003

The deviation of the NH2 pseudo-first-order decay Arrhenius plots of the NH2 + O3 reaction at high ozone pressures measured by experimentalists, has been attributed to the regeneration of NH2 radicals due to the subsequent reactions of the products of this reaction with ozone. Although these products have not yet been characterized experimentally, the radical H2NO has been postulated, because it can regenerate NH2 radicals through the reactions: H2NO + O3 NH2 + O2 and H2NO + O3 HNO + OH + O2. With the purpose of providing a reasonable explanation from a theoretical point of view to the kinetic observed behaviour of the NH2 + O3 system, we have carried ab initio electronic structure calculat…

Modeling polyethylene with the bond fluctuation model

1997

This work presents an application of recently developed ideas about how to map real polymer systems onto abstract models. In our case the abstract model is the bond fluctuation model with a Monte Carlo dynamics. We study the temperature dependence of chain dimensions and of the self-diffusion behavior in the melt from high temperatures down to 200 K. The chain conformations are equilibrated over the whole temperature range, which is possible for the abstract type of model we use. The size of the chains as measured by the characteristic ratio is within 25% of experimental data. The simulated values of the chain self-diffusion coefficient have to be matched to experimental information at one …

Comparative analysis in terms of computational cost for different discrimination algorithms in implantable defibrillators

2005

Implantable defibrillators (ICDs) use very low computational cost criteria (rate, stability and onset) offering good sensitivity for arrhythmia detection. Although, the specificity of these combined criteria decreases in difficult arrhythmia discrimination as in case of discrimination between ventricular tachycardia (VT) and supraventricular tachycardia (SVT). Several morphological published algorithms enhance arrhythmia discrimination but most algorithms are developed in personal computers and cannot be used in ICDs because of computational cost requirements compared with limited ICD capabilities. A general method to determine the possibility of ICD implementation for a discrimination algo…

The impact of theatrical experiences on young adults in Spain

2018

This study examines how young adults experience theatre and how this activity impacts their personal development. A total of 305 subjects, between 14 and 29 years old, completed the 'Theatre and me' (T&Y) battery of questions. Correlation and variance analysis were conducted considering age and gender. Older subjects reported that participating in drama activities has a greater impact on their lives, helps them to have a greater proclivity to take risks and to be more open-minded. With respect to gender, girls score higher than boys in 'Tolerance to RiskTaking and Commitment', 'Identity and Consciousness', Expression of Feeling' and 'Escape'