Browsing
     by title


0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z

or enter first few letters:   
OK
Full Text
Peer Reviewed
See detailTheory and practice of modeling van der Waals interactions in electronic-structure calculations
Stöhr, Martin; Van Voorhis, Troy; Tkatchenko, Alexandre UL

in Chemical Society Reviews (2019), 48

The accurate description of long-range electron correlation, most prominently including van der Waals (vdW) dispersion interactions, represents a particularly challenging task in the modeling of molecules ... [more ▼]

The accurate description of long-range electron correlation, most prominently including van der Waals (vdW) dispersion interactions, represents a particularly challenging task in the modeling of molecules and materials. vdW forces arise from the interaction of quantum-mechanical fluctuations in the electronic charge density. Within (semi-)local density functional approximations or Hartree–Fock theory such interactions are neglected altogether. Non-covalent vdW interactions, however, are ubiquitous in nature and play a key role for the understanding and accurate description of the stability, dynamics, structure, and response properties in a plethora of systems. During the last decade, many promising methods have been developed for modeling vdW interactions in electronic-structure calculations. These methods include vdW-inclusive Density Functional Theory and correlated post-Hartree–Fock approaches. Here, we focus on the methods within the framework of Density Functional Theory, including non-local van der Waals density functionals, interatomic dispersion models within many-body and pairwise formulation, and random phase approximation-based approaches. This review aims to guide the reader through the theoretical foundations of these methods in a tutorial-style manner and, in particular, highlight practical aspects such as the applicability and the advantages and shortcomings of current vdW-inclusive approaches. In addition, we give an overview of complementary experimental approaches, and discuss tools for the qualitative understanding of non-covalent interactions as well as energy decomposition techniques. Besides representing a reference for the current state-of-the-art, this work is thus also designed as a concise and detailed introduction to vdW-inclusive electronic structure calculations for a general and broad audience. [less ▲]

Detailed reference viewed: 23 (0 UL)
Full Text
Peer Reviewed
See detailA Theory for Control-Flow Graph Exploration
Arlt, Stephan UL; Rümmer, Philipp; Schäf, Martin

in ATVA (2013)

Detailed reference viewed: 62 (5 UL)
Full Text
Peer Reviewed
See detailA Theory of BOT concession contracts
Auriol, Emmanuelle UL; Picard, Pierre M. UL

in Journal of Economic Behavior & Organization (2013), 89

In this paper, we discuss the choice for build-operate-and-transfer (BOT) concessions when governments and Örm managers do not share the same information regarding the operation characteristics of a ... [more ▼]

In this paper, we discuss the choice for build-operate-and-transfer (BOT) concessions when governments and Örm managers do not share the same information regarding the operation characteristics of a facility. We show that larger shadow costs of public funds and larger information asymmetries entice governments to choose BOT concessions. This result stems from a trade-o§ between the governmentís shadow costs of Önancing the construction and the operation of the facility and the excessive usage price that the consumer may face during the concession period. The incentives to choose BOT concessions increase as a function of informational asymmetries between governments and potential BOT concession holders and with the possibility of transferring the concession project characteristics to the public authority at the termination of the concession. [less ▲]

Detailed reference viewed: 243 (125 UL)
Full Text
Peer Reviewed
See detailTheory of disjunctive attacks, Part I
Gabbay, Dov M. UL; Gabbay, Michael

in Logic Journal of the IGPL (2016), 24(2), 186--218

Detailed reference viewed: 76 (0 UL)
Full Text
Peer Reviewed
See detailA Theory of Hierarchical Conditionals
Gabbay, Dov M. UL; Schlechta, Karl

in Journal of Logic, Language and Information (2009)

Detailed reference viewed: 10 (0 UL)
Full Text
Peer Reviewed
See detailA Theory of Hierarchical Consequence and Conditionals
Gabbay, Dov M. UL; Schlechta, Karl

in Journal of Logic, Language and Information (2010), 19(1), 332

We introduce A-ranked preferential structures and combine them with an accessibility relation. A-ranked preferential structures are intermediate between sim- ple preferential structures and ranked ... [more ▼]

We introduce A-ranked preferential structures and combine them with an accessibility relation. A-ranked preferential structures are intermediate between sim- ple preferential structures and ranked structures. The additional accessibility relation allows us to consider only parts of the overall A-ranked structure. This framework allows us to formalize contrary to duty obligations, and other pictures where we have a hierarchy of situations, and maybe not all are accessible to all possible worlds. Representation results are proved. [less ▲]

Detailed reference viewed: 59 (0 UL)
Full Text
Peer Reviewed
See detailTheory of magnetic small-angle neutron scattering of two-phase ferromagnets
Honecker, Dirk UL; Michels, Andreas UL

in Physical Review. B, Condensed Matter and Materials Physics (2013), 87(224426), 1-10

Detailed reference viewed: 103 (22 UL)
See detailTheory of Raman spectroscopy of graphene on different substrates
Wirtz, Ludger UL

Scientific Conference (2012)

Detailed reference viewed: 40 (0 UL)
Full Text
Peer Reviewed
See detailTheory of resonant Raman scattering: Towards a comprehensive ab initio description
Reichardt, Sven; Wirtz, Ludger UL

in PHYSICAL REVIEW B (2019), 99(17), 174312-15

We develop a general, fully quantum mechanical theory of Raman scattering from first principles in terms of many-body correlation functions. In order to arrive at expressions that are practically useful ... [more ▼]

We develop a general, fully quantum mechanical theory of Raman scattering from first principles in terms of many-body correlation functions. In order to arrive at expressions that are practically useful in the context of condensed matter physics, we adopt the Lehmann-Symanzik-Zimmermann reduction formula from high-energy physics and formulate it in the language of many-body perturbation theory. This enables us to derive a general and practically useful expression for the Raman scattering rate in terms of quantities that can be computed ab initio. Our work paves the way toward a comprehensive computational approach to the calculation of Raman spectra that goes beyond the current state of the art by capturing both excitonic and nonadiabatic effects. [less ▲]

Detailed reference viewed: 58 (1 UL)
Full Text
Peer Reviewed
See detailTheory of Semi-Instantiation in Abstract Argumentation
Gabbay, Dov M. UL

in Logica Universalis (2016), 10(4), 431--516

Detailed reference viewed: 70 (0 UL)
Full Text
Peer Reviewed
See detailTheory of Semi-Instantiation in Abstract Argumentation
Gabbay, Dov M. UL

in To appear Logica Universalis (2015)

We study instantiated abstract argumentation frames of the form (S, R, I), where (S, R) is an abstract argumentation frame and where the arguments x of S are instantiated by I(x) as well formed formulas ... [more ▼]

We study instantiated abstract argumentation frames of the form (S, R, I), where (S, R) is an abstract argumentation frame and where the arguments x of S are instantiated by I(x) as well formed formulas of a well known logic, for example as Boolean formulas or as predicate logic formulas or as modal logic formulas. We use the method of conceptual analysis to derive the properties of our proposed system. We seek to define the notion of complete extensions for such systems and provide algorithms for finding such extensions. We further develop a theory of instantiation in the abstract, using the framework of Boolean attack formations and of conjunctive and disjunctive attacks. We discuss applications and compare critically with the existing related literature. [less ▲]

Detailed reference viewed: 23 (1 UL)
Full Text
Peer Reviewed
See detailThe theory question in research capacity building in education: Towards an agenda for research and practice.
Biesta, Gert UL; Allan, J.; Edwards, R. G.

in British Journal of Educational Studies (2011), 59(3), 225-239

Detailed reference viewed: 79 (1 UL)
Peer Reviewed
See detailTherapeutic strategies for Parkinson's disease based on data derived from genetic research.
Riess, Olaf; Berg, Daniela; Krüger, Rejko UL et al

in Journal of neurology (2003), 250 Suppl 1

Following the identification of mutations in alpha-synuclein as the cause of some rare forms of familial Parkinson's disease (PD), genetic research has uncovered numerous gene loci of PD. Meanwhile ... [more ▼]

Following the identification of mutations in alpha-synuclein as the cause of some rare forms of familial Parkinson's disease (PD), genetic research has uncovered numerous gene loci of PD. Meanwhile, several neurodegenerative diseases have been shown to accumulate a-synuclein in neuronal and glial cells summarizing this group of diseases as synucleinopathies. All currently known gene defects causing PD alter the ubiquitin-proteasomal pathway of protein degradation. Identification of these disease mutations allows studying the functional consequences which lead to cellular dysfunction and cell death in cell culture and transgenic animal models, to identify therapeutic targets and to test potential protective strategies in these models. [less ▲]

Detailed reference viewed: 68 (0 UL)
Peer Reviewed
See detailTherapeutic targeting of oxygen-sensing prolyl hydroxylases abrogates ATF4-dependent neuronal death and improves outcomes after brain hemorrhage in several rodent models.
Karuppagounder, Saravanan S.; Alim, Ishraq; Khim, Soah J. et al

in Science translational medicine (2016), 8(328), 32829

Disability or death due to intracerebral hemorrhage (ICH) is attributed to blood lysis, liberation of iron, and consequent oxidative stress. Iron chelators bind to free iron and prevent neuronal death ... [more ▼]

Disability or death due to intracerebral hemorrhage (ICH) is attributed to blood lysis, liberation of iron, and consequent oxidative stress. Iron chelators bind to free iron and prevent neuronal death induced by oxidative stress and disability due to ICH, but the mechanisms for this effect remain unclear. We show that the hypoxia-inducible factor prolyl hydroxylase domain (HIF-PHD) family of iron-dependent, oxygen-sensing enzymes are effectors of iron chelation. Molecular reduction of the three HIF-PHD enzyme isoforms in the mouse striatum improved functional recovery after ICH. A low-molecular-weight hydroxyquinoline inhibitor of the HIF-PHD enzymes, adaptaquin, reduced neuronal death and behavioral deficits after ICH in several rodent models without affecting total iron or zinc distribution in the brain. Unexpectedly, protection from oxidative death in vitro or from ICH in vivo by adaptaquin was associated with suppression of activity of the prodeath factor ATF4 rather than activation of an HIF-dependent prosurvival pathway. Together, these findings demonstrate that brain-specific inactivation of the HIF-PHD metalloenzymes with the blood-brain barrier-permeable inhibitor adaptaquin can improve functional outcomes after ICH in several rodent models. [less ▲]

Detailed reference viewed: 142 (2 UL)
Full Text
Peer Reviewed
See detailTherapeutische Interventionen bei dissozialem und aggressivem Verhalten
Schmidt, Alexander F. UL

in Zeitschrift für Verkehrssicherheit (2012), 58

Aggressive und dissoziale Erlebens‐ und Verhaltensweisen sind weit verbreitete Phänomene, deren Heterogenität sich nicht nur in der Vielzahl unterschiedlicher Tatbestände im Strafgesetzbuch niederschlägt ... [more ▼]

Aggressive und dissoziale Erlebens‐ und Verhaltensweisen sind weit verbreitete Phänomene, deren Heterogenität sich nicht nur in der Vielzahl unterschiedlicher Tatbestände im Strafgesetzbuch niederschlägt, sondern auch in den Symptomen verschiedener psychischer Störungen in den standardisierten Diagnosemanualen ihre Entsprechung findet. Aggressives und dissoziales Verhalten stellt das Resultat zugrundeliegender Beeinträchtigungen a) der Impulskontrolle, b) der Emotionsregulation, sowie ausgeprägter c) narzisstisch‐egozentrischer, d) histrionischer, d) süchtiger und e) krimineller Erlebens‐ und Verhaltensweisen dar. Diese lassen sich zum Ausgangspunkt transdiagnostischer therapeutischer Ansätze machen, die mittels spezifischer Interventionen die jeweiligen Problembereiche in sozial erwünschter Weise zu beeinflussen versuchen. Im Folgenden werden in Ergänzung zur Vielzahl störungsspezifischer Behandlungsmethoden therapeutische Ansätze zur Verbesserung der Emotionsregulation, der Selbstkontrolle, des Ärgermanagements und zur Straftäterbehandlung sowie deren empirische Bewährung vorgestellt. [less ▲]

Detailed reference viewed: 160 (0 UL)
Peer Reviewed
See detailTherapist-Guided Tablet-Based Telerehabilitation for Patients With Aphasia: Proof-of-Concept and Usability Study.
Gerber, Stephan Moreno; Schutz, Narayan; Uslu, Arif Sinan UL et al

in JMIR rehabilitation and assistive technologies (2019), 6(1), 13163

BACKGROUND: Aphasia is the loss or impairment of language functions and affects everyday social life. The disorder leads to the inability to understand and be understood in both written and verbal ... [more ▼]

BACKGROUND: Aphasia is the loss or impairment of language functions and affects everyday social life. The disorder leads to the inability to understand and be understood in both written and verbal communication and affects the linguistic modalities of auditory comprehension, verbal expression, reading, and writing. Due to heterogeneity of the impairment, therapy must be adapted individually and dynamically to patient needs. An important factor for successful aphasia therapy is dose and intensity of therapy. Tablet computer-based apps are a promising treatment method that allows patients to train independently at home, is well accepted, and is known to be beneficial for patients. In addition, it has been shown to ease the burden of therapists. OBJECTIVE: The aim of this project was to develop an adaptive multimodal system that enables aphasic patients to train at home using language-related tasks autonomously, allows therapists to remotely assign individualized tasks in an easy and time-efficient manner, and tracks the patient's progress as well as creation of new individual exercises. METHODS: The system consists of two main parts: (1) the patient's interface, which allows the patient to exercise, and (2) the therapist's interface, which allows the therapist to assign new exercises to the patient and supervise the patient's progress. The pool of exercises is based on a hierarchical language structure. Using questionnaires, therapists and patients evaluated the system in terms of usability (ie, System Usability Scale) and motivation (ie, adapted Intrinsic Motivation Inventory). RESULTS: A total of 11 speech and language therapists (age: mean 28, SD 7 years) and 15 patients (age: mean 53, SD 10 years) diagnosed with aphasia participated in this study. Patients rated the Bern Aphasia App in terms of usability (scale 0-100) as excellent (score >70; Z=-1.90; P=.03) and therapists rated the app as good (score >85; Z=-1.75; P=.04). Furthermore, patients enjoyed (scale 0-6) solving the exercises (score>3; mean 3.5, SD 0.40; Z=-1.66; P=.049). CONCLUSIONS: Based on the questionnaire scores, the system is well accepted and simple to use for patients and therapists. Furthermore, the new tablet computer-based app and the hierarchical language exercise structure allow patients with different types of aphasia to train with different doses and intensities independently at home. Thus, the novel system has potential for treatment of patients with aphasia as a supplement to face-to-face therapy. [less ▲]

Detailed reference viewed: 51 (2 UL)
Full Text
Peer Reviewed
See detailThere Is No Best Beta-Normalization Strategy for Higher-Order Reasoners
Steen, Alexander UL; Benzmüller, Christoph UL

in Davis, Martin; Fehnker, Ansgar; McIver, Annabelle (Eds.) et al Logic for Programming, Artificial Intelligence, and Reasoning (LPAR) (2015, November)

Detailed reference viewed: 13 (0 UL)
Full Text
See detailThere is no one human scale - Reflections on urban development practice in Luxembourg
Carr, Constance UL; Lutz, Rebecca; Schutz, Kevin

Report (2018)

Detailed reference viewed: 43 (8 UL)
Full Text
Peer Reviewed
See detailThere Is No Such Thing as a Monolingual Text! New Tools for Literary Scholarship
Dembeck, Till UL

in Polyphonie: Mehrsprachigkeit_Kreativität_Schreiben (2017), 1

Der Beitrag nimmt ein Argument auf, das in jüngster Vergangenheit sowohl in der Literaturwissenschaft als auch in der Soziolinguistik hervorgebracht wurde: dass nämlich – entgegen der unausgesprochenen ... [more ▼]

Der Beitrag nimmt ein Argument auf, das in jüngster Vergangenheit sowohl in der Literaturwissenschaft als auch in der Soziolinguistik hervorgebracht wurde: dass nämlich – entgegen der unausgesprochenen Überzeugung der modernen Philologien – Einsprachigkeit für (literarische) Texte keinesfalls die Norm ist, sondern dass (literarische) Texte in der Regel, wenn auch in unterschiedlichem Maße und in unterschiedlicher Form, von sprachlicher Vielfalt geprägt sind. Der Aufsatz schlägt das Konzept einer Mehrsprachigkeitsphilologie als einer Methode vor, das Wechselspiel zwischen diesen unterschiedlichen Formen der Mehrsprachigkeit in literarischen Texten zu rekonstruieren und zu interpretieren. Die Methode der Mehrsprachigkeitsphilologie basiert auf einem analytischen Instrumentarium, das es ermöglicht, manifeste wie latente Formen sprachlicher Vielfalt in (literarischen) Texten sichtbar zu machen. Dieses Instrumentarium erlaubt es außerdem, die kulturpolitischen Strategien zu untersuchen, die der literarischen Verwendung von Sprachdifferenzen zugrunde liegen. Der Beitrag zeigt den Nutzen dieses Instrumentariums in kurzen Analysen von Texten aus unterschiedlichen Epochen und literarischen Traditionen. [less ▲]

Detailed reference viewed: 103 (12 UL)
Full Text
Peer Reviewed
See detail“There Was No Green Tick”: Discovering the Functions of a Widget in a Joint Problem-Solving Activity and the Consequences for the Participants’ Discovering Process
Sunnen, Patrick UL; Arend, Béatrice UL; Maquil, Valérie

in Multimodal Technologies and Interaction (2018), 2(4), 1-23

In recent years, tangible user interfaces (TUI) have gained in popularity in educational contexts, among others to implement problem-solving and discovery learning science activities. In the context of an ... [more ▼]

In recent years, tangible user interfaces (TUI) have gained in popularity in educational contexts, among others to implement problem-solving and discovery learning science activities. In the context of an interdisciplinary and cross-institutional collaboration, we conducted a multimodal EMCA-based video user study involving a TUI-mediated bicycle mechanics simulation. This article focusses on the discovering work of a group of three students with regard to a particular tangible object (a red button), designed to support participants engagement with the underlying physics aspects and its consequences with regard to their engagement with the targeted mechanics aspects. [less ▲]

Detailed reference viewed: 60 (6 UL)