9 results

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 ...

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/

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, ...

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.

Googlomics: Inferring hidden causal relations between pathway members using reduced Google matrix of directed biological networks

Collected date : from Dec 2015 to Dec 2016

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 ...

Van't Hoff law for temperature dependent Langmuir constants in clathrate hydrate nanocavities.

Collected date : from 2013 to 2014
Creators : Azzedine Lakhlifi

This work gives a set of parameters of van't Hoff law expression for calculating Langmuir constants of different gas species to determine their occupancy in clathrate hydrates in a temperature range 50 – 300 K. The van't Hoff law's parameters are derived from potential energy calculations using a ...

9 results

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dat@UBFC

dat@UBFC is a metadata catalogue for research data produced at UBFC.

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