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   Articles with "theory" as a keyword



Modeling Diffusion in Functional Materials: From Density Functional Theory to Artificial Intelligence

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recommendations! Published in 2019 at "Advanced Functional Materials"

DOI: 10.1002/adfm.201900778

Abstract: Diffusion describes the stochastic motion of particles and is often a key factor in determining the functionality of materials. Modeling diffusion of atoms can be very challenging for heterogeneous systems with high energy barriers. In… read more here.

Keywords: theory; density functional; diffusion; modeling diffusion ... See more keywords
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Optical Activity of Chiral Nanoscrolls

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recommendations! Published in 2017 at "Advanced Optical Materials"

DOI: 10.1002/adom.201600982

Abstract: A first quantum-mechanical theory of chiral semiconductor nanoscrolls is presented. The theory allows one to analytically calculate the rotatory strengths and dissymmetry factors of optical transitions inside monodisperse ensembles of randomly oriented nanoscrolls, as well… read more here.

Keywords: rotatory strengths; theory; chiral nanoscrolls; activity chiral ... See more keywords

Unravelling Size‐Dependent and Coupled Properties in Mechanical Metamaterials: A Couple‐Stress Theory Perspective

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recommendations! Published in 2024 at "Advanced Science"

DOI: 10.1002/advs.202305113

Abstract: The lack of material characteristic length scale prevents classical continuum theory (CCT) from recognizing size effect. Additionally, the even‐order material property tensors associated with CCT only characterize the materials' centrosymmetric behavior and overlook their intrinsic… read more here.

Keywords: mechanical metamaterials; size; couple stress; theory ... See more keywords

Electric Double Layer Theory of Interfacial Ionic Liquids for Capturing Ion Hierarchical Aggregation and Anisotropic Dynamics

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recommendations! Published in 2024 at "Advanced Energy Materials"

DOI: 10.1002/aenm.202402974

Abstract: Compared to aqueous ions, ionic liquids (ILs) consist entirely of cations and anions, and they function in energy conversion and storage owing to unique properties. Classical electric double layer (EDL) theory born a century ago… read more here.

Keywords: anisotropic dynamics; hierarchical aggregation; aggregation; ion ... See more keywords

Engineering Orbital Hybridization in Advanced Electrocatalysts for Energy Conversion: Fundamentals, Modulations, and Perspectives

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recommendations! Published in 2025 at "Advanced Energy Materials"

DOI: 10.1002/aenm.202501129

Abstract: Catalytic coordinates are essentially the dynamic interactions of frontier orbitals when interacting with electrocatalysts and adsorbates under optimal reaction conditions. Flexible modifications in orbital hybridization enable intrinsic control over both the thermodynamics and kinetics of… read more here.

Keywords: energy; orbital hybridization; hybridization advanced; theory ... See more keywords

Sustainability Strategies in the Cocoa‐Chocolate Value Chain: An Analysis Using Stakeholder Theory, Global Value Chain Theory, and Resource Dependence Theory

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recommendations! Published in 2025 at "Agribusiness"

DOI: 10.1002/agr.22044

Abstract: The cocoa‐chocolate value chain faces significant environmental and social challenges, driving firms to adopt sustainability strategies ranging from individual practices to third‐party certifications. This study investigates the factors associated with these strategies by analyzing 304… read more here.

Keywords: value; cocoa chocolate; value chain; theory ... See more keywords
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Elevating community-driven socioecological participation and action: A case study with Black youth.

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recommendations! Published in 2023 at "American journal of community psychology"

DOI: 10.1002/ajcp.12679

Abstract: Context is important when considering how racism acts to harm Black youth. Hence, social scientists developed socioecological theories that consider both the individual and the context(s) which shapes them. We used these theories to make… read more here.

Keywords: theory; elevating community; community; make sense ... See more keywords

Sharing the burden: A neutral approach to socioecological theory.

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recommendations! Published in 2018 at "American journal of physical anthropology"

DOI: 10.1002/ajpa.23383

Abstract: OBJECTIVE The socioecological model (SEM) is a popular collection of controversial models purporting to explain mating systems in terms of ecological and social parameters. Despite its guise of objectivity, several of its hypotheses assume Victorian… read more here.

Keywords: mating systems; theory; sharing burden; approach ... See more keywords

Scientists' data reuse behaviors: A multilevel analysis

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recommendations! Published in 2017 at "Journal of the Association for Information Science and Technology"

DOI: 10.1002/asi.23892

Abstract: This study explores the factors that influence the data reuse behaviors of scientists and identifies the generalized patterns that occur in data reuse across various disciplines. This research employed an integrated theoretical framework combining institutional… read more here.

Keywords: reuse; data reuse; multilevel analysis; theory ... See more keywords

JASIS&T special issue on information behavior and information practices theory

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recommendations! Published in 2022 at "Journal of the Association for Information Science and Technology"

DOI: 10.1002/asi.24622

Abstract: Information behavior, and more recently information practices, together are an important area of information science. Significant scholarly work occurs on these topics around the world, which is presented at the major scholarly conferences, including the… read more here.

Keywords: information; theory; information behavior; information practices ... See more keywords

Confidence ellipsoids for ASCA models based on multivariate regression theory

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recommendations! Published in 2018 at "Journal of Chemometrics"

DOI: 10.1002/cem.2990

Abstract: In analysis of variance simultaneous component analysis, permutation testing is the standard way of assessing uncertainty of effect level estimates. This article introduces an analytical solution to the assessment of uncertainty through classical multivariate regression… read more here.

Keywords: ellipsoids asca; theory; confidence ellipsoids; regression theory ... See more keywords