Search results for "basis"
showing 10 items of 760 documents
Pairing energy effects in cyanide complexes of CpCrIII
1999
International audience; The steric and electronic factors responsible for the reactivity differences between CN and Cl complexes of CpCrIII were examined by DFT/B3LYP computational techniques. The energy difference between quadruplet and doublet [CpCr(CN)2(PH3)], ΔED–Q, was calculated to be 21.2 kcal mol−1 with the LanL2DZ basis set. Although the high-spin configuration is still the ground state for the cyanide complex, the energy gap is 8.7 kcal mol−1 less than that found for the corresponding chloride species. The difference between quadruplet [CpCr(CN)2(PH3)] and doublet [CpCr(CN)2(PH3)2] less free PH3, ΔECr–P, is also smaller than for the Cl system. The components of ΔECr–P for CN and C…
Music and Emotions in the Brain: Familiarity Matters
2011
The importance of music in our daily life has given rise to an increased number of studies addressing the brain regions involved in its appreciation. Some of these studies controlled only for the familiarity of the stimuli, while others relied on pleasantness ratings, and others still on musical preferences. With a listening test and a functional magnetic resonance imaging (fMRI) experiment, we wished to clarify the role of familiarity in the brain correlates of music appreciation by controlling, in the same study, for both familiarity and musical preferences. First, we conducted a listening test, in which participants rated the familiarity and liking of song excerpts from the pop/rock repe…
Permutability of injectors with a central socle in a finite solvable group
2017
In response to an Open Question of Doerk and Hawkes [5, IX Section 3, page 615], we shall show that if Zπ is the Fitting class formed by the finite solvable groups whose π-socle is central (where π is a set of prime numbers), then the Zπ-injectors of a finite solvable group G permute with the members of a Sylow basis in G. The proof depends on the properties of certain extraspecial groups [4].
Evaluative linguistic expressions vs. fuzzy categories
2015
In this paper, we discuss the distinction between categories characterized by verbal labels taken from a fuzzy rating scale and special class of linguistic expressions, called evaluative. The latter form a general class of expressions that includes gradable and evaluative adjectives and their hedges. First, we will provide a brief linguistic analysis of them. Then we outline basic principles for construction of the mathematical model of semantics of evaluative expressions. In Section 3 we will analyze the concepts of rating scale with verbal labels (fuzzy rating scale), their semantics and demonstrate that the latter cannot be identified with the semantics of evaluative expressions. Finally…
Analytic high-order Douglas–Kroll–Hess electric field gradients
2007
In this work we present a comprehensive study of analytical electric field gradients in hydrogen halides calculated within the high-order Douglas-Kroll-Hess (DKH) scalar-relativistic approach taking picture-change effects analytically into account. We demonstrate the technical feasibility and reliability of a high-order DKH unitary transformation for the property integrals. The convergence behavior of the DKH property expansion is discussed close to the basis set limit and conditions ensuring picture-change-corrected results are determined. Numerical results are presented, which show that the DKH property expansion converges rapidly toward the reference values provided by four-component met…
Rough Search of Vague Knowledge
2017
This chapter presents the theoretical basis of the vague knowledge search algorithmization of a rough method. It introduces some data granulation method which aggregates this data as rough sets of data or ways to search this data in the semantic networks. As a result of this method is the possibility of the rough sets description, analogically to sets in the classical theory of sets. We try to answer the question how the agent searching some knowledge can conceive the search of vague knowledge in the semantic networks: (1) if it can, accordingly to the semantic and the conceiving rules, describe the relationships between nodes in this semantic network which are identified as ways of searchi…
Bodily Engagement in Multimodal Interaction
2010
The creative processes of interaction design operate in terms we generally use for conceptualising human-computer interaction (HCI). Therefore the prevailing design paradigm provides a framework that essentially affects and guides the design process. We argue that the current mainstream design paradigm for multimodal user-interfaces takes human sensory-motor modalities and the related userinterface technologies as separate channels of communication between user and an application. Within such a conceptualisation, multimodality implies the use of different technical devices in interaction design. This chapter outlines an alternative design paradigm, which is based on an action-oriented persp…
Modeling Developmental Processes in Psychology
2013
In the present article I suggest first that modeling in psychology can be described as an interactive process between a phenomenon under study (reality) and different levels of theoretical conceptualizations that vary in respect to how directly they can be related to empirical observations and at what level of generalization they operate. Then, I give three examples of my own work concerning building theories and testing models. Next, I discuss some caveats scientists face when building theories and models on the basis of their observations. Finally, I make a few conclusions on the basis of the article. peerReviewed
Conceptual basis of cognitive mimetics for information engineering
2021
Abstract Intelligent information processing is topical in modern technology design and development. The fundamental idea was developed by Turing as he made the first conceptual models of information-processing computers. Though it has practically never been noticed, Turing’s work was a model of how to mimic human intelligent information processes and generate technologies, which can carry out intelligent tasks. The design method can be called cognitive mimetics as it imitates human information processes to design technologies and their applications. One can use cognitive mimetics even in solving techno-ethical problems. This is why we think that cognitive mimetics are vital as a method to g…
Computing the Cell
2015
Here I call for the need to revisit cell theory. The idea that the cell is the basic unit of life is well-known and foundational to Biology, but it has not received sufficient attention. We have increasingly detailed knowledge of the intracellular world and all its components, but these are often considered independently. On the other hand, there is excessive theorising about the cell on the basis of its being a black box. The time is ripe to formulate an integrative cell theory .