Can structure data obtained from CT images substitute for parameters of a preferential flow model?
Sign Up to like & getrecommendations! 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
What's the gap? A possible strategy for advancing theory, and an appeal for experimental structure data to drive that advance
Sign Up to like & getrecommendations! 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
PDBe-KB: a community-driven resource for structural and functional annotations
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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
An in-depth Study of the Concept of Chirality in Organic and Pharmaceutical Chemistry: Using Crystal Structure Data with 3D Visualization Software
Sign Up to like & getrecommendations! 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