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917 results for “Theorie”
Comparing the compression behavior of the antiperovskites CePt3Si, CePt3B, and YPt3B from combined X-ray diffraction experiments and density functional theory
<p>DFT data for the paper:</p> <p><strong>Comparing the compression behavior of the antiperovskites CePt3Si, CePt3B, and YPt3B from combined X-ray diffraction experiments and density functional theory</strong></p> <p><em>Emma Ehrenreich-Petersen (a) , Morten B. Nielsen (a,b) , Davide Ceresoli (c), Martin Ottesen (a) , Paraskevas Parisiades (d) , Martin Bremholm (a)</em><br><br>(a) Department of Chemistry and iNANO, Aarhus University, Langelandsgade 140, 8000, Aarhus C, Denmark<br>(b) Danish Technological Institute, Kongsvang Allé 29, 8000, Aarhus C, Denmark<br>(c) Consiglio Nazionale delle Ricerche - Istituto di Scienze e Tecnologie Chimiche “G. Natta” (CNR-SCITEC), via Golgi 19, 20133, Milano, Italy<br>(d) Sorbonne Université, Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, CNRS/MNHN/IRD (UMR 7590), 4 Place Jussieu, 75005, Paris, France</p>
DATA SET: Perceived instructor's emotional support as a predictor of college students' academic resilience in a Philippine university landscape: From the perspectives of Resilience and Self-Determination Theory
<p>Data from: Perceived instructor’s emotional support as a predictor of college students’ academic resilience in a Philippine university landscape: From the perspectives of Resilience and Self-Determination Theory by Lobo et al. (2024).</p>
Meson spectroscopy from spectral densities in lattice gauge theories---data release
<p>This is the data release relative to the paper "Meson spectroscopy from spectral densities in lattice gauge theories" (arXiv:2405.01388). It contains the data that can be analysed through the analysis code in doi:10.5281/zenodo.11048300.</p>
Data & codes for: Evolution of virulence in emerging epidemics: from theory to experimental evolution and back
<p>Data & Codes for:</p> <p><strong>Evolution of virulence in emerging epidemics: from theory to experimental evolution and back</strong><br><em>Wakinyan Benhamou, François Blanquart, Marc Choisy, Thomas W. Berngruber, Rémi Choquet and Sylvain Gandon</em></p> <p>___________________________________________________________________________________</p> <p>Data that were used in this study, along with the scripts for the analyses (in R), are available in the file <strong><em>Data_and_codes.zip</em></strong><em>. </em>For full description, please see the file <strong><em>README.md</em></strong>. All this is also available in the following GitHub repositery: <a href="https://github.com/WakinyanB/LAMBDA">https://github.com/WakinyanB/LAMBDA</a>.</p>
Research data for: "Band Structure Interpolation using Optimized Local Orbitals from Linear-Scaling Density-Functional Theory"
<p>This file was created by Laura E. Ratcliff on 23rd March 2018. It contains the input files employed for the ONETEP and CASTEP calculations in the above publication.</p> <p>Directory Listing:</p> <p>castep/</p> <p>Contains the input files used to generate the CASTEP reference data.</p> <p>onetep/</p> <p>Contains the input files used to generate all of the ONETEP data, where filenames are labelled with the number of repeat CNT units, val (cond) indicates a valence (conduction) calculation and the suffixes follow a similar labelling convention to that employed in the manuscript.</p>
DECISION MAKING THEORIES IN BOTH HEALTH RELATED BEHAVIORS AND ENVIRONMENTAL BEHAVIORS
<p>DECISION MAKING THEORIES IN BOTH HEALTH RELATED BEHAVIORS AND ENVIRONMENTAL BEHAVIORS</p>
THEORY OF PLANNED BEHAVIOR FRAMEWORK AND EXAMPLE SURVEY
<p><strong>FIGURE </strong><strong>2</strong><strong>.</strong> THEORY OF PLANNED BEHAVIOR FRAMEWORK AND EXAMPLE SURVEY</p>
Figure 8 in The Origin and Evolution of the Rattlesnake Rattle: Misdirection, Clarification, Theory, and Progress
Figure 8. Multi-modal aposematic threat display by an iconic rattlesnake species of the Southwest. An adult Crotalus atrox in a typical raised posture. In addition to postural signals, such displays incorporate sound (rattling and hissing), other visual signals (tongue arching, stark black and white tail banding), and overt intimidation (mock strikes). Together these signals comprise an integrated deterrent (warning) system. Photo by Martin J. Feldner.
Figure 7 in The Origin and Evolution of the Rattlesnake Rattle: Misdirection, Clarification, Theory, and Progress
Figure 7. Unbroken sequence of evolutionary stages in rattle development illustrating the caudal luring hypothesis (CLH) of the rattle's origin. We partitioned this evolutionary sequence into six conceptual stages to emphasize possible transitions of selective influences on the incipient rattle organ system. Mimicry dominated the incipient stages (stages 1–3), which first resulted in terminal scale enlargement, followed by constriction of the end scale. Mimetic selective forces (Box 1) increased the tail's resemblance to a cephalized, segmented invertebrate, which also brought about changes in the generative tissue (matrix) and its bony substratum at the apex of the tail. In our opinion, the major evolutionary transition occurred between stages 3 and 4, when a bi- or tri-lobed end-cap, which was formerly shed during molts, gained a clasping configuration and a position shifting developmental process by which a new proximal lobe was added anterior to the old proximal lobe from the previous ecdysis (see Meik and Schuett, this volume, Rattle Evo-Devo). This innovation would have opened the door for sound production. Subsequently, with the advent of specialized rapid tail movements and changes in behavior, the aposematic role of this organ system became the dominant selective influence (stage 5). Based on multiple lines of evidence, we suggest that early rattlesnakes had small, relatively quiet rattles which could be deployed for only short durations (e.g., Sistrurus miliarius). Once aposematic sound production was achieved, certain lineages evolved hyper-aposematic, multi-modal displays (stage 6) involving increased body size (formidability), large rattles and hissing (acoustic), bold defensive postures (behavioral), starkly banded tails (black and white), larger quantities of venom per bite, and perhaps in some cases increased toxicity (Figure 8). In reference to a purely aposematic hypothesis to account for the origin of the rattle, this model fills major theoretical gaps in selective regimes present and acting on the early proto-rattle and incipient rattle. Namely, it adds stages 2 and 3, which provide an explanation for early and important morphological changes that must have required evolutionary tinkering. The transition (gradient) in selection (mimetic to aposematic) advantage appears to be complete in derived rattlesnakes (e.g., C. atrox), but is incomplete in those species that still employ caudal luring (Figures 2–4), most of which are small as adults and have limited and less dramatic aposematic repertoires (see Eberhard, 2011).
Figure 6 in The Origin and Evolution of the Rattlesnake Rattle: Misdirection, Clarification, Theory, and Progress
Figure 6. Species of vertebrates that show prey-luring. a) Painted Frogfish (Antennarius pictus). b) Alligator Snapping Turtle (Macroclemmys sp.). c) Tasselled Wobbegong (Eucrossorhinus dasypogon). d) Cottonmouth (Agkistrodon piscivorus).
Figure 5 in The Origin and Evolution of the Rattlesnake Rattle: Misdirection, Clarification, Theory, and Progress
Figure 5. Differences between values for respiratory activity of midbody and tail muscle reported by Moon (2001). VO 2 = rate of oxygen consumption, sdh = succinic dehydrogenase, and co = cytochrome oxidase (change in optical density). Moon (2001) reported raw values that were perhaps not intuitive to reviewers, and asserted that Agkistrodon contortrix displayed muscle oxidative capacities intermediate between tail-rattling colubrids (Coluber constrictor) and rattlesnakes (Sistrurus miliarius and Crotalus horridus). Plotting differences between mid-body and tail muscle measurements leads to a revised conclusion. Error bars = SD calculated as the square root of the sum of variances. The crosshatched bar is reported here as a positive number, but would have been negative as reported by Moon (a possible transposition).
Figure 4 in The Origin and Evolution of the Rattlesnake Rattle: Misdirection, Clarification, Theory, and Progress
Figure 4. Species of rattlesnakes that hunt by caudal luring. a) Newborn Ridgenose Rattlesnakes (Crotalus willardi) with their putative mother, from Arizona. Note that the tail is off-white. See paper by Schuett et al. (1984). Photo by Brendan O'Connor. b) A newborn Rock Rattlesnake (Crotalus lepidus), from Arizona. Note the bright yellow tail. See paper by Kauffeld (1943). Photo by Martin J. Feldner.
Figure 3 in The Origin and Evolution of the Rattlesnake Rattle: Misdirection, Clarification, Theory, and Progress
Figure 3. The yellow tail of a young Pigmy Rattlesnake (Sistrurus miliarius) from Florida. Note the scrapes and missing scales on the ventral side. The photographer told us, "Based on the damaged scales, looks like the tail got some use as a caudal lure." See paper by Sisk and Jackson (1997). Rabatsky (2008) provides a review. Photo by Ed Cassano.
Figure 1 in The Origin and Evolution of the Rattlesnake Rattle: Misdirection, Clarification, Theory, and Progress
Figure 1. The Spider-tailed Viper (Pseudocerastes urarachnoides) from western Iran (in situ). Note the elaborate tail (caudal lure) from which it derives its names (Bostanchi et al., 2006; Fathinia et al., 2015). To watch this species lure birds, go to https://www.youtube.com/ watch?v=VvNrOVf17Es. Photo by Frank Deschandol.
Figure 2 in The Origin and Evolution of the Rattlesnake Rattle: Misdirection, Clarification, Theory, and Progress
Figure 2. As neonates and juveniles, some species of rattlesnakes possess a tail (caudal lure) closely resembling insect larvae or "grubs" (see references in Schuett et al., 1984; Reiserer, 2002; Rabatsky, 2008; Reiserer and Schuett, 2008; Clark et al., 2016, www.youtube.com/watch?v=N2Nf8uMOZ2c). a) A young Western Massasauga (Sistrurus tergeminus). b) Note the resemblance of the tail to the insect larva. c) A newborn Sidewinder (Crotalus cerastes). d) Note the resemblance of the tail to the insect larva. Photo of Sidewinder by Ed Cassano.
Distillation of crop models to learn plant physiology theories using machine learning
<p>Full Paper available for download at LINK</p>
Multihole water oxidation catalysis on hematite photoanodes revealed by operando spectroelectrochemistry and density functional theory
<p>Water oxidation is the key kinetic bottleneck of photoelectrochemical devices for fuel synthesis. Despite advances in the identification of intermediates, elucidating the catalytic mechanism of this multi-redox reaction on metal-oxide photoanodes remains a significant experimental and theoretical challenge. Here we report an experimental analysis of water oxidation kinetics on four widely studied metal oxides, focusing particularly upon hematite. We observe that hematite is able to access a reaction mechanism third order in surface hole density, assigned to equilibration between three surface holes and M(OH)-O-M(OH) sites. This reaction exhibits a remarkably low activation energy (E<sub>a</sub> ~ 60 meV). Density functional theory is employed to determine the energetics of charge accumulation and O-O bond formation on a model hematite 110 surface. The proposed mechanism shows parallels with the function of oxygen evolving complex of photosystem II, and provides new insights to the mechanism of heterogeneous water oxidation on a metal oxide surface.</p>
A contagion measure provably superior to the reproduction number: theory and a case study of the Yemen cholera epidemic, Datasets
<p>Data used for Yemen cholera epidemic simulation.</p>
Gassmann Consistency for Different Inclusion-based Effective Medium Theories: Implications for Elastic interactions and Poroelasticity
<p>This is the dataset associted with the paper published in JGR: Gassmann Consistency for Different Inclusion-based Effective Medium Theories: Implications for Elastic interactions and Poroelasticity</p>
Raw Data for "Combining experiments and relativistic theory for establishing accurate radiative quantities in atoms: the lifetime of the $^2$P$_{3/2}$ state in $^{40}$Ca$^+$"
<p>Raw data and analysis files (Matlab) for the paper: "Combining experiments and relativistic theory for establishing accurate radiative quantities in atoms: the lifetime of the $^2$P$_{3/2}$ state in $^{40}$Ca$^+$".</p>
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Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.