Articles with "structure data" as a keyword



Can structure data obtained from CT images substitute for parameters of a preferential flow model?

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Published in 2020 at "Geoderma"

DOI: 10.1016/j.geoderma.2020.114643

Abstract: Abstract Modeling preferential flow in soils is still a challenge for the scientific community working on water resources. Indeed, it is an issue to determine the functional parameters of models dedicated to water flow, that… read more here.

Keywords: water; model; preferential flow; structure data ... See more keywords
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What's the gap? A possible strategy for advancing theory, and an appeal for experimental structure data to drive that advance

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Published in 2020 at "RSC Advances"

DOI: 10.1039/d0ra07496a

Abstract: There is substantial demand for theoretical/computational tools that can produce correct predictions of the geometric structure and band gap to accelerate the design and screening of new materials with desirable electronic properties. DFT-based methods exist… read more here.

Keywords: gap; experimental structure; data drive; structure ... See more keywords

Theoretical calculations and evaluation of atomic structure data for argon ions from F-like Ar to C-like Ar

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Published in 2025 at "Physica Scripta"

DOI: 10.1088/1402-4896/adb359

Abstract: This paper reports the calculated atomic structure data for F-like, O-, N-, and C-like Argon (Ar) ions. These ions play a crucial role in interpreting fundamental plasma spectroscopy and understanding the complex astrophysical spectra. The… read more here.

Keywords: structure; like like; structure data; atomic structure ... See more keywords

Probing the latent hierarchical structure of data via diffusion models

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Published in 2024 at "Journal of Statistical Mechanics: Theory and Experiment"

DOI: 10.1088/1742-5468/aded6c

Abstract: High-dimensional data must be highly structured to be learnable. Although the compositional and hierarchical nature of data is often put forward to explain learnability, quantitative measurements establishing these properties are scarce. Likewise, accessing the latent… read more here.

Keywords: diffusion; latent hierarchical; structure data; diffusion models ... See more keywords

PDBe-KB: a community-driven resource for structural and functional annotations

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Published in 2020 at "Nucleic Acids Research"

DOI: 10.1093/nar/gkz853

Abstract: Abstract The Protein Data Bank in Europe-Knowledge Base (PDBe-KB, https://pdbe-kb.org) is a community-driven, collaborative resource for literature-derived, manually curated and computationally predicted structural and functional annotations of macromolecular structure data, contained in the Protein Data… read more here.

Keywords: community; pdbe; community driven; functional annotations ... See more keywords

Visualization of four-dimensional X-ray absorption fine structure data using a virtual reality system

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Published in 2025 at "Journal of Synchrotron Radiation"

DOI: 10.1107/s1600577524011226

Abstract: 4D imaging X-ray absorption fine structure data were successfully visualized in virtual reality space. The proposed method provides a novel approach for analyzing the geometric and topological nature of multidimensional spectroscopic data. read more here.

Keywords: fine structure; ray absorption; virtual reality; absorption fine ... See more keywords
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An in-depth Study of the Concept of Chirality in Organic and Pharmaceutical Chemistry: Using Crystal Structure Data with 3D Visualization Software

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Published in 2020 at "Indian Journal of Pharmaceutical Education and Research"

DOI: 10.5530/ijper.54.4.209

Abstract: Background: Chirality is an essential feature of life and a universal phenomenon in nature, chirality in chemistry and biochemistry is closely related to biological, spectroscopic and physical properties. The concept of chirality also has important… read more here.

Keywords: concept chirality; crystal structure; chirality; chemistry ... See more keywords