Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Ludovic Mouron"'
Publikováno v:
Computers & Chemistry. 21:431-435
A new method for determining the concentration of complexes in melts is described. It is based on the analysis of structural models obtained from neutron diffraction data using a simulated annealing procedure. The consistency of the method has been c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fcfb2378e171d02d903926a890bae4df
https://doi.org/10.1016/s0097-8485(97)00023-5
https://doi.org/10.1016/s0097-8485(97)00023-5
Publikováno v:
Computers & Chemistry. 20:227-233
A new method for analyzing the shapes of the voids in structural models of liquids is described. Each void is approximated by a cluster of elementary cubes the inertial ellipsoid of which provides information about the dimensionality of the void (sph
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2857b49cfd56ac33a16ec47bbef8efde
https://doi.org/10.1016/0097-8485(95)00051-8
https://doi.org/10.1016/0097-8485(95)00051-8
Publikováno v:
Computers & Chemistry. 18:5-11
This paper describes a new method for limiting structural models during modelling procedures on disordered compounds. Instead of using the well known periodic boundary, the data derived from neutron diffraction experiments are modified to take into a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6abf6cf12616aaab92400bf1f8186ef7
https://doi.org/10.1016/0097-8485(94)80017-0
https://doi.org/10.1016/0097-8485(94)80017-0
Publikováno v:
American Institute of Physics Conference Proceedings.
Complexes responsible for ionic transport in LiCl-KCl eutectic melt
Complexes responsible for ionic transport in LiCl-KCl eutectic melt, 1996, United States. pp.PP 540-545
Complexes responsible for ionic transport in LiCl-KCl eutectic melt
Complexes responsible for ionic transport in LiCl-KCl eutectic melt, 1996, United States. pp.PP 540-545
6 pages; International audience; DFT calculations using DMol software at the DNP/UHF/BLYP level were firstly performed in order to determine the more stable isolated chloro-complexes of lithium and/or potassium cations. An Inverse Isotropic Monte Car
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ce9b52cb9d749dc308a94adcce6ce814
https://doi.org/10.1063/1.50170
https://doi.org/10.1063/1.50170
Publikováno v:
AIP Conference Proceedings.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::455f8074ceb53d193a5efdf31e8372e0
https://doi.org/10.1063/1.47714
https://doi.org/10.1063/1.47714
Publikováno v:
AIP Conference Proceedings.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::11f75715a73ccb27293650a3fe98509d
https://doi.org/10.1063/1.47715
https://doi.org/10.1063/1.47715