SiCaSDa database
Calculated spectroscopic line lists for silane (SiH4), resulting from the most recent high-resolution experimental spectrum assignments and fits.
Electric vehicle energy model
The project is a simple electric vehicle energy model. It uses the fundamental principle of dynamics to determine the power profile seen by a battery cell for a given mission. The input data are GPX files of the actual path considered. They can also be replaced by a speed and slope profile. In the ...
ChMeCaSDa database
Calculated spectroscopic line lists for chloromethane (CH3Cl), resulting from the most recent high-resolution experimental spectrum assignments and fits.
Physico-chemical parameters and isotopic signatures of the waters of the Forbonnet peatland
pH, electrical conductivity, temperature, redox potential, major elements concentration, and isotope analyses (87Sr/86Sr ratio, 13C of the dissolved inorganic carbon, 18O and 2H of the water molecule) of waters sampled at the Forbonnet peatland. All the methods of acquisition and laboratory ...
Spatial and temporal variability of pelagic and benthic organic matter composition in lake
As part of the QUALILAC project (Influence of the watershed on the functioning of lakes: importance of nutritional quality for couplings between benthic and pelagic environments), monitoring of the origin, quantity and quality of organic matter (OM) available at the water column and benthic level ...
Model energetic macroscopic representation (EMR) of the Fuel Cell and leads to a so-called maximal control structure (MCS)
This modeling presents the control part of a proton exchange membrane fuel cell (PEMFC). The objective of the model is to represent the voltage control chain of the PEMFC. This model is based on an energetic macroscopic representation (EMR) of the fuel cell and then leads to a so-called maximum ...
Physicochemical characteristics of water and sediment - floodplains of the Ain, Doubs and Loue Rivers - 2015-2016
19 sites (16 wetlands and 3 rivers) with different physicochemical characteristics and distributed along three rivers (Ain, Doubs, and Loue) were sampled. The physicochemical characteristics of the wetlands were measured in situ or after laboratory analysis.
Physicochemical characteristics of water and sediment - Ain River floodplain - 2019-2020
34 sites (16 wetland sites, 15 river sites, and 3 groundwaters) distributed along the Ain River with different physicochemical characteristics were sampled. The physicochemical characteristics of the wetlands were measured in situ or after laboratory analysis.
Physicochemical and bacteriological characteristics of water - Arcier watershed - 2020-2022
Physical characteristics, major ions, minor ions, trace elements measured from May 2020 to February 2022 in five sites of the Arcier karst watershed (Doubs, France), as well as at the Arcier spring. These measurements were complemented by the acquisition of extended spectrum beta-lactamase ...
GeCaSDa database
Calculated spectroscopic line lists for germane (GeH4), resulting from the most recent high-resolution experimental spectrum assignments and fits.
Formation of interstellar complex polycyclic aromatic hydrocarbons: insights from molecular dynamics simulations of dehydrogenated benzene
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 ...
Modeling the aging of battery and fuel cell components in real use
These models are associated with the project AsDeCoEUR (Analyses De Composants Energétiques en Usage Réel). The project is based on a thesis work aiming at understanding the dynamic behavior, to study the aging and to estimate the health status of the battery and fuel cell energy components in real ...
In vivo skin anisotropy dataset for a young man (28 years old) by annular suction
The aim of our study is to characterize the anisotropic and viscoelastic behavior of the skin. Thus, a campaign of in vivo ring suction tests was conducted using the CutiScan®CS100 device from Courage and Khazaka electronics. 30 tests were performed on the anterior forearm of a 28-year-old Caucasian ...
Impact of a treatment by plasma polymerization on the filtration performances of commercial membranes for the decontamination of solution containing metal ions.
In this project, a commercial membrane exhibiting low performances of heavy metal removal has been modified by plasma grafting of poly(allylamine). This treatment allows modifying the structural and physicochemical properties of the membrane surface and thus increasing separation performances, while ...
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, ...
Crystal structure of the two-dimensional coordination polymer poly[di-μ-bromido-bis(μ-tetrahydrothiophene)dicopper(I)]
The polymeric title compound, [Cu2Br2(C4H8S)2]n, CP1, represents an example of a two-dimensional coordination polymer resulting from reaction of CuBr with tetrahydrothiophene (THT) in MeCN solution. The two-dimensional layers consist of two different types of rhomboid-shaped dinuclear ...
Crystal structure of dicarbonyl[μ2-methylenebis(diphenylphosphane)-κ2P:P′][μ2-2-(2,4,5-trimethylphenyl)-3-...
The title compound, [FePt(C12H12O)(C18H15P)(C25H22P2)(CO)2]·2C7H8·CH2Cl2 or [(OC)2Fe(μ-dppm)(μ-C(=O)C(2,4,5-C6H2Me3)=CH)Pt(PPh3)], represents an example of a diphosphane-bridged heterobimetallic dimetallacyclopentenone complex resulting from a bimetallic activation of 1-ethynyl-2,4,5-trimethylbe ...
Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol
The title compound, C22H22O2S2, 1, represents an example of an ortho-vanillin-based functionalized dithioether, which could be useful as a potential chelating ligand or bridging ligand for coordination chemistry. This dithioacetal 1 crystallizes in the orthorhombic space group Pbca. The phenyl ...
Crystal structures of 9-[bis(benzylsulfanyl)methyl]anthracene and of cyclo-dodecakis(μ2-phenylmethanethiolato-κ2S:S)hexapalladium(6 Pd—Pd)–anthracene-9,10-dione (1/1)
The first title compound, C29H24S2, L1, represents an example of an anthracene-based functionalized dithioether, which may be useful as a potential chelating or terminal ligand for coordination chemistry. This dithioacetal L1 crystallizes in the monoclinic space group P21/c. The phenyl rings of ...
Crystal structure of the coordination polymer catena-poly[[[(acetonitrile-κN)copper(I)]-μ3-1,3-dithiolane -κ3S:S:S'] hexafluoridophosphate]
The polymeric title compound, [Cu2(C2H3N)2(C3H6S2)2](PF6)2, represents an example of a one-dimensional coordination polymer resulting from the reaction of [Cu(MeCN)4][PF6] with 1,3-dithiolane. The cationic one-dimensional ribbon consists of two copper(I) centers each ligated by one acetonitrile ...
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 ...
UHeCaSDa database
Calculated spectroscopic line lists for uranium hexafluide (UF6), resulting from the most recent high-resolution experimental spectrum assignments and fits.
TFSiCaSDa database
Calculated spectroscopic line lists for silicon tetrafluoride (SiF4), resulting from the most recent high-resolution experimental spectrum assignments and fits.
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