Search results for "interaction [photon deuteron]"
showing 10 items of 352 documents
ChemInform Abstract: Weak Interactions Between Trivalent Pnictogen Centers: Computational Analysis of Bonding in Dimers X3E···EX3(E: Pnictogen, X: Ha…
2009
The nature of weak interactions in dimers X3E···EX3 (E = N−Bi, X = F−I) was investigated by wave function and density functional theory (DFT)-based methods. Out of the 20 systems studied, 10 are found to be bound at the CP-MP2 and LMP2 levels of theory. Detailed partition of the interaction energy into different components revealed that dispersion is the primary force holding the dimers together but there also exists an important ionic component whose contribution increases with increasing halogen size. As expected, standard density functionals fail to describe bonding in the studied systems. However, the performance of DFT methods can be easily improved via empirical dispersion correction …
Hydration of agarose double helix: A monte carlo simulation
2009
The structure of the water around agarose double helix is analyzed with ab initio quantum mechanical calculations and Monte Carlo simulations. The potential surface is sampled by computing the interaction energy between fragments of agarose and a water molecule placed at 221 different orientations and/or positions. These energy values are fitted to a simple analytical expression representing atom-atom pair potentials for a water molecule interacting with agarose. A preliminary understanding of the agarose-water interaction is obtained from isoenergy contour maps at planar cross sections, perpendicular to the long axis of the double helix, and for cylindrical surfaces enclosing the double he…
A study of coronene?coronene association using atom?atom pair potentials
1996
A study of the coronene—coronene association using different interaction potentials based on an atom-atom pair potential proposed by Fraga has been performed. The interaction potentials employed differ in the way the electrostatic and/or dispersion contributions are computed. The influence of both contributions on the geometries predicted for the coronene dimer is discussed in order to analyze the effectiveness of the different interaction potentials. The stationary points found in each interaction energy hypersurface are characterized by calculating the Hessian eigenvalues. Results are discussed in the light of those previously reported for the benzene dimer. Stacked-displaced structures a…
Modelling of the cation motions in complex system: case of Na-mordenites
2002
Abstract Semi-empirical inter-atomic potentials and Monte Carlo algorithms are proposed to predict the evolution of the interaction energy between sodium ions and a mordenite type aluminosilicate network as a function of Si/Al ratio. This result is favourably compared with the activation energy barriers for Na + `jumps' responsible for the polarization change, measured by thermally stimulated current (TSC) spectroscopy, for Na-mordenites characterized by Si/Al ratios ranged from 5.5 to 12. Finally, we propose a possible mechanism for the cation motions, which involves activation barriers within the same order of magnitude than those measured by TSC.
Topological structure analysis of chromatin interaction networks.
2019
Abstract Background Current Hi-C technologies for chromosome conformation capture allow to understand a broad spectrum of functional interactions between genome elements. Although significant progress has been made into analysis of Hi-C data to identify biologically significant features, many questions still remain open, in particular regarding potential biological significance of various topological features that are characteristic for chromatin interaction networks. Results It has been previously observed that promoter capture Hi-C (PCHi-C) interaction networks tend to separate easily into well-defined connected components that can be related to certain biological functionality, however, …
Slacking with the Bot: Programmable Social Bot in Virtual Team Interaction
2021
Nonhuman communicators are challenging the prevailing conceptualizations of technology-mediated team communication. Slackbot is a social bot that can be configured to respond to trigger words and, thus, take part in discussions on the platform. A set of 84 bot-related communication episodes were identified from a journalistic team's Slack messages (N=45,940) and analyzed utilizing both qualitative content analysis and interaction process analysis (IPA). This integrated mixed-methods analysis revealed novel insights into the micro-level dynamics of human-machine communication in organizational teams. In response to Slackbot's greetings, acclamations, work-related messages, and relational mes…
Sonic Interaction Design
2009
Sound is an integral part of every user experience but a neglected medium in design disciplines. Design of an artifact's sonic qualities is often limited to the shaping of functional, representational, and signaling roles of sound. The interdisciplinary field of sonic interaction design (SID) challenges these prevalent approaches by considering sound as an active medium that can enable novel sensory and social experiences through interactive technologies. This book offers an overview of the emerging SID research, discussing theories, methods, and practices, with a focus on the multisensory aspects of sonic experience. Sonic Interaction Design gathers contributions from scholars, artists, an…
Developing hand-worn input and haptic support for real-world target finding
2019
Locating places in cities is typically facilitated by handheld mobile devices, which draw the visual attention of the user on the screen of the device instead of the surroundings. In this research, we aim at strengthening the connection between people and their surroundings through enabling mid-air gestural interaction with real-world landmarks and delivering information through audio to retain users' visual attention on the scene. Recent research on gesture-based and haptic techniques for such purposes has mainly considered handheld devices that eventually direct users' attention back to the devices. We contribute a hand-worn, mid-air gestural interaction design with directional vibrotacti…
Supporting tourism with public interactive displays
2019
Interactive displays are common in public and semi-public areas, such as museums, shopping malls, train stations, and even on streets. Especially with the emergence of new ways of interaction, interactive displays could be introduced to popular tourist attractions to support tourism. The aim of this tutorial is to prepare its participants for designing such interactive public displays. The tutorial will first introduce participants to state of the art in interactive public displays. This will be followed by a city tour where a number of local attractions are visited. Finally, the participants will brainstorm and create concepts for novel interactive public displays that aim to improve the e…
Design and evaluation of prosody-based non-speech audio feedback for physical training application
2011
Abstract Methodological support for the design of non-speech user interface sounds for human–computer interaction is still fairly scarce. To meet this challenge, this paper presents a sound design case which, as a practical design solution for a wrist-computer physical training application, outlines a prosody-based method for designing non-speech user interface sounds. The principles used in the design are based on nonverbal communicative functions of prosody in speech acts, exemplifying an interpersonal approach to sonic interaction design. The stages of the design process are justified with a theoretical analysis and three empirical sub-studies, which comprise production and recognition t…