Nitrogen Hydrate Cage Occupancy and Bulk Modulus Inferred from Density Functional Theory-Derived Cell Parameters
Gas clathrate hydrate solid materials, ubiquitous in nature as found either on the ocean floor, permafrost on the Earth, or in extraterrestrial planets and comets, are also technologically relevant, for example, in energy storage or carbon dioxide sequestration. Nitrogen hydrate, in particular, is ...
Diversity-oriented Synthesis of Spiropyrrolo[1, 2-a]isoquinoline Derivatives via Diastereoselective and Regiodivergent Three-component 1,3-Dipolar Cycloaddition Reactions: In vitro and in vivo Evaluation of the Antidiabetic Activity of Rhodanine Analogues
An efficient diastereoselective route is developed to get access to novel spiropyrrolo[1,2-a]isoquinoline-oxindole skeletons by a one-potthree-component [3 + 2] cycloaddition reaction of (Z)-5-arylidene-1,3-thiazolidine-2,4-diones, isatin derivatives, and 1,2,3,4-tetrahydroisoquinoline (THIQ). ...
Control of Structures and Emission Properties of (CuI)n 2-Methyldithiane Coordination Polymers
A structurally unique and strongly luminescent nonporous 3D coordination polymer (CP) [Cu8I8(methyldithiane)4]n, CP3, has been prepared in a quasi-anticipated manner from 2-methyl-1,3-dithiane, L1, and CuI. This CP incorporates an unprecedented Cu8I8 cluster built upon two side-fused open cubanes. ...
A Fused Poly(truncated rhombic dodecahedron)-Containing 3D Coordination Polymer: A Multifunctional Material with Exceptional Properties
The design of new and inexpensive metal-containing functional materials is of great interest. Herein is reported a unique thermochromic near-IR emitting coordination polymer, 3D-[Cu8I8(L1)2]n, CP2, which is formed when ArS(CH2)4SAr (L1, Ar = 4-C6H4OMe) reacts with 2 equiv of CuI in EtCN. In MeCN, ...
Climate projection over France (8 km resolution) CMIP5
The set of climate projections available corresponds to the GCM (Global Circulation Model) data from CMIP5 (Coupled Model Intercomparison Project; Taylor et al., 2012) used in the fifth IPCC report. A total of 23 GCMs from 16 different institutions were downloaded on the ESGF (Earth System Grid ...
Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer
A new coordination polymer (CP) defined as [Cu2Cl2(EtS(CH2)4SEt)4]n (CP2) was prepared by reacting EtS(CH2)4SEt with CuCl in acetonitrile in a 1 : 2 stoichiometric ratio. The X-ray structure reveals formation of non-porous 3D material composed of parallel 2D-[Cu2Cl2S2]n layers of Cl-bridged ...
WRF-CORDEX simulations on the Mediterranean domain MED-44
WRF-CORDEX simulations on the Mediterranean MED-44 domain at 44 kms resolution. The version of the WRF model is 3.8.1 (Advance Research WRF dynamics (Skamarock et al 2008.)) forced by ERA-interim for the control run and CCSM4 for the scenarios. 4 sets of data are therefore available: the control run ...
WRF-CORDEX simulations on the Europe domain EUR-44
WRF-CORDEX simulations on the European EUR-44 domain at 44 kms resolution. The version of the WRF model is 3.8.1 (Advance Research WRF dynamics (Skamarock et al 2008.)) forced by ERA-interim for the control run and CCSM4 for the scenarios. 4 sets of data are therefore available: the control run over ...
Continuous regional climate change projection for France
This data-set concerns the regionalization at 12km resolution of the two Radiative Pathways Projection RCP4.5 and RCP8.5 simulated by the CCSM4 Earth System Model. This dynamic downscaling experiment uses the ARW/WRF model version 3.8.1 run in climate mode. The simulation were conducted by the CRC ...
Wikipedia network analysis of cancer interactions and world influence
We apply the Google matrix algorithms for analysis of interactions and influence of 37 cancer types, 203 cancer drugs and 195 world countries using the network of 5 416 537 English Wikipedia articles with all their directed hyperlinks. The PageRank algorithm provides the importance order of cancers ...
Massive evaluation and analysis of Poincaré recurrences
We present a novel numerical method aimed to characterize global behaviour, in particular chaotic diffusion, in dynamical systems. It is based on an analysis of the Poincaré recurrence statistics on massive grids of initial data or values of parameters. We concentrate on Hamiltonian systems, ...
Interactions of pharmaceutical companies with world countries, cancers and rare diseases from Wikipedia network analysis
Using the English Wikipedia network of more than 5 million articles we analyze interactions and interlinks between the 34 largest pharmaceutical companies, 195 world countries, 47 rare renal diseases and 37 types of cancer. The recently developed algorithm of reduced Google matrix (REGOMAX) allows ...
Downscaling CMIP5 climate projections over the Mont-Blanc Massif at a 200-m resolution
Statistical downscaling of outputs (daily minimum and maximum air temperature at 2-m) of 13 Earth System Models (simulations: HIST period 1950-2006; RCP2.6 and RCP8.5 period 2006-2100) at a 200-m resolution over and around the Mont-Blanc Massif (Western Europe, border between France and Italy and ...
Adsorption of methanol on ice
Data of the Adsorption Isotherm of Methanol on Crystalline (Ih) Ice at 200 K, as Obtained from Grand Canonical Monte Carlo Simulations.
World influence of infectious diseases from Wikipedia network analysis
We consider the network of 5416537 articles of English Wikipedia of 2017. Using the recent reduced Google matrix (REGOMAX) method we construct the reduced network of 230 articles (nodes) of infectious diseases and 195 articles of world countries. This method generates the reduced directed network ...
Wikipedia Ranking of World Universities 2017
We present Wikipedia Ranking of World Universities (WRWU) based on analysis of networks of 24 Wikipedia editions collected in May 2017. With PageRank and CheiRank algorithms we determine ranking of universities averaged over cultural views of these editions. The comparison with the Shanghai ranking ...
Wikipedia Ranking of World Universities
We obtained the ranking of the most influential universities in Wikipedia. We analyzed networks of articles associated to 24 language editions of Wikipedia to compute the ranking of world universities using PageRank, CheiRank and 2DRank algorithms. The Wikipedia Ranking of World Universities (WRWU) ...
Googlomics: Inferring hidden causal relations between pathway members using reduced Google matrix of directed biological networks
Signaling pathways represent parts of the global biological network which connects them into a seamless whole through complex direct and indirect (hidden) crosstalk whose structure can change during normal development or in a pathological conditions such as cancer. Advanced methods for ...
ISLSCP II Atmospheric Carbon Dioxide Consumption by Continental Erosion
Estimates for the riverine export of carbon and of sediments: dissolved organic carbon (DOC) export, particulate organic carbon (POC) export, bicarbonate export, export of bicarbonate being of atmospheric origin (atmospheric CO2 consumption by rock weathering), and sediment export. Estimates are ...
Climate simulations at a kilometer scale over the Mont-Blanc
Ten-member ensemble simulations performed over the Mont-Blanc massif with the ARW/WRF regional climate model, period 1979-2012, forced by ERA-Interim reanalyses
Reactivity of CuI and CuBr toward Dialkyl Sulfides RSR: From Discrete Molecular Cu4I4S4 and Cu8I8S6 Clusters to Luminescent Copper(I) Coordination Polymers
The CuX salts (X = I, Br) react with SR2 to form molecular clusters of the types [(R2S)4(Cu4I4)] and [(R2S)6(Cu8I8)] or to give 1D polymers and 2D metal−organic frameworks. The cluster nuclearity and connectivity as well as the dimensionality of these compounds depend on the steric demand of SR2, ...
Hydrology, Climate Change, Adaptation, Water Resource in Burgundy (HYCCARE-Burgundy)
Dynamical climate downscaling is realized using the WRF Regional Climate Model at 48km and 12km resolution respectively for Burgundy region. Climate simulations are used to feed the hydrological model GR4J towards the simulation of water ressource trends for 13 watersheds. Climate simulation ...
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