20 results

Numerical modelling of the impact of the structural anisotropy on the thermal diffusivity

Collected date : from 2018 to 2021

Numerical modelling of the impact of the structural anisotropy on the thermal diffusivity using 1D and 2D codes.

Dynamical environments of Arrokoth: prior evolution and present state

Disciplines : astronomy & astrophysics
Collected date : from 1 Jan 2022 to 1 Aug 2022

We consider dynamical environments of (486958) Arrokoth, focusing on both their present state and their long-term evolution, starting from the KBO's formation.

Formation of interstellar complex polycyclic aromatic hydrocarbons: insights from molecular dynamics simulations of dehydrogenated benzene

Collected date : from 2019 to 2020

The data are supplemental materials for the article entitled "Formation of interstellar complex polycyclic aromatic hydrocarbons: insights from molecular dynamics simulations of dehydrogenated benzene" authored by M. Hanine et al. The data contains: - Atomistic configurations of the formed PAH ...

New spiropyrrolothiazole derivatives bearing an oxazolone moiety as potential antidiabetic agent: Design, synthesis, crystal structure, Hirshfeld surface analysis, ADME and molecular docking studies

In a sustained search for novel and effective antihyperglycemics, a new series of fifteen isomeric oxazolone-fused dispiropyrrolothiazoles resulting from one-pot three component reaction between L-4-thiazolidine carboxylic acid, arylidene-oxazolones and isatin (or acenaphthenequinone) has been ...

Antimicrobial Activity and DFT Studies of a Novel Set of Spiropyrrolidines Tethered with Thiochroman-4-one/Chroman-4-one Scaffolds

A novel series of 14 spiropyrrolidines bearing thiochroman-4-one/chroman-4-one, and oxindole/acenaphthylene-1,2-dione moieties were synthesized and characterized by spectroscopic techniques, as well as by three X-ray diffraction studies, corroborating the stereochemistry. Quantum chemical ...

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 ...

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 ...

Suretta nappe shear zones

Collected date : from 15 Sep 2011 to 29 Feb 2016

The database "Suretta nappe shear zones" contains petrological, structural and microtextural data of millimetre-scale shear zones from the Roffna rhyolite (Suretta nappe, Eastern Alps, Switzerland). The data consist of structural orientations, optical and electronic images of the mineralogy of the ...

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 ...

Three-Component Access to Functionalized Spiropyrrolidine Heterocyclic Scaffolds and Their Cholinesterase Inhibitory Activity

Disciplines : chemistry, organic
Collected date : from 2019 to 2020

A novel one-pot [3+2]-cycloaddition reaction of (E)-3-arylidene-1-phenyl-succinimides, cyclic 1,2-diketones (isatin, 5-chloro-isatin and acenaphtenequinone), and diverse α-aminoacids such as 2-phenylglycine or sarcosine is reported. The reaction provides succinimide-substituted dispiropyrrolidine ...

WRF-CORDEX simulations on the Mediterranean domain MED-44

Collected date : from Jan 2019 to Dec 2019

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

Collected date : from Jan 2019 to Dec 2019

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

Collected date : from 1 Jan 1980 to 31 Dec 2100

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 ...

GaiaSimu Universe Model Snapshot

Disciplines : astronomy & astrophysics
Collected date : 2014
Creators : Annie Robin

GUMS-10 is the 10th version of the Gaia Universe Model Snapshot, a simulation of the expected contents of the Gaia catalogue run at the MareNostrum supercomputer. The simulated catalogue will be made publicly available by the DPAC on the Gaia portal of the ESA web site http://www.rssd.esa.int/gaia/

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.

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

Collected date : from Apr 2015 ongoing

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

20 results

dat@OSU

dat@OSU is a sub-portal of dat@UBFC, a metadata catalogue for research data produced at UBFC.

Terms of use
Université de Bourgogne, Université de Franche-Comté, UTBM, AgroSup Dijon, ENSMM, BSB, Arts des Metiers