Results 11 to 20 of about 38,527 (197)
Molecules, 2018 In this manuscript, we combined DFT calculations (PBE0-D3/def2-TZVP level of theory) and a Cambridge Structural Database (CSD) survey to evaluate the ability of perchlorinated cyclopenta- and cyclohexatetrelanes in establishing tetrel bonding ...
Antonio Bauzá, Antonio Frontera
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Molecules, 2018 In this manuscript, we combined a search in the Cambridge Structural Database (CSD) and ab initio calculations (RI-MP2/def2-TZVPD level of theory) to analyze the ability of trisulphide and triselenide moieties to establish chalcogen ‘like-like ...
Antonio Bauzá, Antonio Frontera
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An Efficient Representation for Filtrations of Simplicial Complexes [PDF]
, 2017 A filtration over a simplicial complex $K$ is an ordering of the simplices of $K$ such that all prefixes in the ordering are subcomplexes of $K$. Filtrations are at the core of Persistent Homology, a major tool in Topological Data Analysis.
Boissonnat, Jean-Daniel, S., Karthik C.
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Crystals, 2017 In this manuscript, we combined DFT (Density Functional Theory) calculations (BP86-D3/def2-TZVP level of theory) and a search in the CSD (Cambridge Structural Database) to analyze the role of halogen–halogen interactions in the crystal structure of ...
Antonio Bauzá, Antonio Frontera
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Infrared Small Maritime Target Detection Based on Integrated Target Saliency Measure
IEEE Journal of Selected Topics in Applied Earth Observations and Remote Sensing, 2021 Robust and effective detection of a small target in an infrared maritime image is a key technology of maritime target search and tracking applications. Infrared small target detection is a challenging task due to the factors such as dim small targets and
Ping Yang, Lili Dong, Wenhai Xu
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Automated design of low complexity FIR filters [PDF]
, 1998 This paper considers the design of low complexity FIR filters. Complexity is reduced by constraining the filters to have integer coefficients, which can be efficiently implemented using primitive operator directed graphs (PODG).
Bull, DR, Redmill, DW
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Upregulation of IL-1 Receptor Antagonist in a Mouse Model of Migraine
Brain Sciences, 2019 Migraine is a disorder characterized by attacks of monolateral headaches, often accompanied by nausea, vomiting, and photophobia. Around 30% of patients also report aura symptoms.
Salvo Danilo Lombardo +8 more
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Crystals, 2020 A theoretical study and Cambridge Structural Database (CSD) search of dinuclear Ag(I) pyrazolates interactions with Lewis bases were carried out and the effect of the substituents and ligands on the structure and on the aromaticity were analyzed.
Ibon Alkorta +3 more
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Structure determination from powder data : Mogul and CASTEP [PDF]
, 2009 When solving the crystal structure of complex molecules from powder data, accurately locating the global minimum can be challenging, particularly where the number of internal degrees of freedom is large.
Bardin, J. +5 more
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Molecules, 2017 In this manuscript, we combined ab initio calculations (RI-MP2/def2-TZVPD level of theory) and a search in the CSD (Cambridge Structural Database) to analyze the influence of aromatic substitution in charge-assisted multivalent halogen bonding complexes.
Antonio Bauzá +2 more
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