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 ...
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.
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 ...
Synthesis, antidiabetic activity and molecular docking study of rhodanine-substitued spirooxindole pyrrolidine derivatives as novel α-amylase inhibitors
In a sustained search for novel α-amylase inhibitors for the treatment of type 2 diabetes mellitus (T2DM), we report herein the synthesis of a series of nineteen novel rhodanine-fused spiro[pyrrolidine-2,3′-oxindoles]. They were obtained by one-pot three component [3 + 2] cycloaddition of stabilized ...
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). ...
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.
MeCaSDa database
Calculated spectroscopic line lists for methane (CH4), resulting from the most recent high-resolution experimental spectrum assignments and fits.
SHeCaSDa database
Calculated spectroscopic line lists for sulfur hexafluoride (SF6), resulting from the most recent high-resolution experimental spectrum assignments and fits.
TFMeCaSDa database
Calculated spectroscopic line lists for carbon tetrafluoride, resulting from the most recent high-resolution experimental spectrum assignments and fits.
RuCaSDa database
Calculated spectroscopic line lists for ruthenium tetroxide (RuO4), resulting from the most recent high-resolution experimental spectrum assignments and fits.
ECaSDa database
Calculated spectroscopic line lists for ethene (ethylene), resulting from the most recent high-resolution experimental spectrum assignments and fits.
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, ...
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