Chemistry, physical
Translations : chemistry, physical ; chimie physique
Domain : chemistry
Discipline
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chemistry, physical
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environmental sciences
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paleontology
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archaeology
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geosciences, multidisciplinary
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geography, physical
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geology
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limnology
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ecology
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crystallography
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biodiversity conservation
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astronomy & astrophysics
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meteorology & atmospheric sciences
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water resources
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geochemistry & geophysics
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physics, atomic, molecular & chemical
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history
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chemistry, organic
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microbiology
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multidisciplinary sciences
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materials science, multidisciplinary
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cell biology
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mineralogy
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plant sciences
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chemistry, inorganic & nuclear
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spectroscopy
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chemistry, analytical
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agronomy
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physics, mathematical
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parasitology
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computer science, information systems
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health care sciences & services
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engineering, environmental
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biochemistry & molecular biology
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computer science, software engineering
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mycology
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electrochemistry
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energy & fuels
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engineering, electrical & electronic
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computer science, artificial intelligence
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forestry
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materials science, characterization & testing
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humanities, multidisciplinary
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pathology
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geography
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engineering, industrial
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oncology
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behavioral sciences
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materials science, composites
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marine & freshwater biology
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infectious diseases
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instruments & instrumentation
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oceanography
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ornithology
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zoology
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genetics & heredity
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anatomy & morphology
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cultural studies
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entomology
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materials science, biomaterials
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mathematical & computational biology
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medical informatics
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medieval & renaissance studies
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neurosciences
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pharmacology & pharmacy
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physiology
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polymer science
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remote sensing
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robotics
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statistics & probability
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toxicology
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tropical medicine
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engineering, mechanical
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engineering, chemical
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music
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dermatology
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nanoscience & nanotechnology
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neuroimaging
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urban studies
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nuclear science & technology
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computer science, theory & methods
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computer science, interdisciplinary applications
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communication
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clinical neurology
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chemistry, applied
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biophysics
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surgery
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philosophy
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biology, miscellaneous
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physics, condensed matter
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biology
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telecommunications
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asian studies
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anthropology
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psychiatry
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psychology
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psychology, experimental
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public, environmental & occupational health
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religion
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transportation science & technology
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logic
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materials science, coatings & films
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linguistics
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language & linguistics
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reproductive biology
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mathematics
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mechanics
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agriculture, multidisciplinary
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architecture
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imaging science & photographic technology
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acoustics
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microscopy
Structure
Label
Data language
Project
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Elaboration des matériaux luminescents
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KARSTNAPL : Comportement et élimination de phases liquides non aqueuses dans des modèles d’aquifères fracturés et fissurés
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MI2C
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PHC-BALATON (Partenariat Hubert Curien)
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Récupération de phases liquides organiques en milieu karstique
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Stabilité et métastabilité de clathrate hydrates au moyen de simulations ab-initio
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The influence of the cell membrane asymmetry and curvature on the functioning of membrane proteins and the transport of therapeutic compounds
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Elaboration des composés héterocycliques antidiabétiques et antimicrobiens
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Thèse de doctorat en biophysique - Timothée Rivel
Collection
Publisher
Datatype
Access
Data acquisition method
Nitrogen Hydrate Cage Occupancy and Bulk Modulus Inferred from Density Functional Theory-Derived Cell Parameters
Dataset
Disciplines :
chemistry, physical
materials science, characterization & testing
materials science, multidisciplinary
Collected date : from 2019 to 2020
Labels :
Mésocentre(s) UBFC
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
Dataset
Collected date : from 2018 to 2021
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
Dataset
Collected date : from 2016 to 2018
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
Dataset
Collected date : from 2016 to 2021
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, ...
Lipid model membranes intended for all-atom molecular dynamics
Dataset
Disciplines :
chemistry, physical
biophysics
Collected date : from 1 Oct 2015 to 30 Sep 2019
Labels :
Mésocentre(s) UBFC
Creators :
Timothée Rivel
The data are a series of lipid model membranes designed for the use in all-atoms Molecular dynamics simulations. They are lipid membranes modelling the composition of the lipid matrix of the plasma membrane of eukaryotes with a 5-component model involving phosphatidylcholine (PC), phosphatidylserine ...
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 ...
Adsorption of methanol on ice
Dataset
Collected date : 2006
Data of the Adsorption Isotherm of Methanol on Crystalline (Ih) Ice at 200 K, as Obtained from Grand Canonical Monte Carlo Simulations.
Pure liquid phase recovery in karstic medium
Dataset
Collected date : from Mar 2017 ongoing
Keywords :
cleaning-up
dense non aqueous phase liquid (DNAPL)
foams
fracturated media
hydraulic and partition tracer tests
...
Creators :
Nicolas Fatin-Rouge
Sofia Visitacion Carillo
This project is about the study in 2D-cells of fractured media, contaminated by pure phase hydrocarbons. Cosidered systems are made of 3 non-miscible fluids (air, water and hydrocarbons), considering light and dense hydrocarbons. First, the fluids behavior and the distribution of contaminants were ...
Reactivity of CuI and CuBr toward Dialkyl Sulfides RSR: From Discrete Molecular Cu4I4S4 and Cu8I8S6 Clusters to Luminescent Copper(I) Coordination Polymers
Dataset
Collected date : from 2010 to 2014
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, ...