화학공학소재연구정보센터
검색결과 : 10건
No. Article
1 Insight into the Crystalline Structure of ThF4 with the Combined Use of Neutron Diffraction, F-19 Magic-Angle Spinning-NMR, and Density Functional Theory Calculations
Martel L, Capelli E, Body M, Klipfel M, Benes O, Maksoud L, Raison PE, Suard E, Visscher L, Bessada C, Legein C, Charpentier T, Kovacs A
Inorganic Chemistry, 57(24), 15350, 2018
2 Preparation-Dependent Composition and O/F Ordering in NbO2F and TaO2F
Dabachi J, Body M, Galven C, Boucher F, Legein C
Inorganic Chemistry, 56(9), 5219, 2017
3 Reversible magnesium and aluminium ions insertion in cation-deficient anatase TiO2
Koketsu T, Ma JW, Morgan BJ, Body M, Legein C, Dachraoui W, Giannini M, Demortiere A, Salanne M, Dardoize F, Groult H, Borkiewicz OJ, Chapman K, Strasser P, Dambournet D
Nature Materials, 16(11), 1142, 2017
4 Atomic Insights into Nanoparticle Formation of Hydroxyfluorinated Anatase Featuring Titanium Vacancies
Li W, Body M, Legein C, Borkiewicz OJ, Dambournet D
Inorganic Chemistry, 55(14), 7182, 2016
5 Advances in structural analysis of fluoroaluminates using DFT calculations of Al-27 electric field gradients
Body M, Legein C, Buzare JY, Silly G, Blaha P, Martineau C, Calvayrac F
Journal of Physical Chemistry A, 111(46), 11873, 2007
6 Al-27 NMR experiments and quadrupolar parameter ab initio calculations: Crystallographic structure refinement of beta-Ba3AlF9
Body M, Silly G, Legein C, Buzare JY, Calvayrac F, Blaha P
Chemical Physics Letters, 424(4-6), 321, 2006
7 Multinuclear high-resolution NMR study of compounds from the ternary system NaF-CaF2-AlF3: From determination to modeling of NMR parameters
Martineau C, Body M, Legein C, Silly G, Buzare JY, Fayon F
Inorganic Chemistry, 45(25), 10215, 2006
8 F-19 high magnetic field NMR study of beta-ZrF4 and CeF4: From spectra reconstruction to correlation between fluorine sites and F-19 isotropic chemical shifts
Legein C, Fayon F, Martineau C, Body M, Buzare JY, Massiot D, Durand E, Tressaud A, Demourgues A, Peron O, Boulard B
Inorganic Chemistry, 45(26), 10636, 2006
9 Cluster models and a initio calculations of F-19 NMR isotropic chemical shifts for inorganic fluorides
Body M, Silly G, Legein C, Buzare JY
Journal of Physical Chemistry B, 109(20), 10270, 2005
10 Correlation between F-19 environment and isotropic chemical shift in barium and calcium fluoroaluminates
Body M, Silly G, Legein C, Buzare JY
Inorganic Chemistry, 43(8), 2474, 2004