Search Results - "Cristol, S."

Effect of water on the stability of Mo and CoMo hydrodeoxygenation catalysts: A combined experimental and DFT study by Badawi, M., Paul, J.F., Cristol, S., Payen, E., Romero, Y., Richard, F., Brunet, S., Lambert, D., Portier, X., Popov, A., Kondratieva, E., Goupil, J.M., El Fallah, J., Gilson, J.P., Mariey, L., Travert, A., Maugé, F.

“…Water impacts the stability of Mo and CoMo sulfide catalysts in hydrodeoxygenation of phenolic compounds. Co promotes the catalytic activity and stabilizes the…”
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CO Adsorption on CoMo and NiMo Sulfide Catalysts:  A Combined IR and DFT Study by Travert, A, Dujardin, C, Maugé, F, Veilly, E, Cristol, S, Paul, J.-F, Payen, E

“…Experimental IR spectra of carbon monoxide adsorbed on a series of Mo/Al2O3, CoMo/Al2O3, and NiMo/Al2O3 sulfided catalysts have been compared to ab initio DFT…”
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Synthesis of γ-Bi2MoO6 catalyst studied by combined high-resolution powder diffraction, XANES and Raman spectroscopy by KONGMARK, C, MARTIS, V, PIROVANO, C, LÖFBERG, A, VAN BEEK, W, SANKAR, G, RUBBENS, A, CRISTOL, S, VANNIER, R.-N, BORDES-RICHARD, E

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Catalytic oxidation of methanol on Mo/Al2O3 catalyst: An EPR and Raman/infrared operando spectroscopies study by Brandhorst, M., Cristol, S., Capron, M., Dujardin, C., Vezin, H., Le bourdon, G., Payen, E.

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Theoretical Study of the MoS2 (100) Surface:  A Chemical Potential Analysis of Sulfur and Hydrogen Coverage by Cristol, S, Paul, J. F, Payen, E, Bougeard, D, Clémendot, S, Hutschka, F

“…The stability of the (100) MoS2 surface has been studied using periodic DFT calculations taking into account various parameters such as the temperature and the…”
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Theoretical Study of the MoS2 (100) Surface:  A Chemical Potential Analysis of Sulfur and Hydrogen Coverage. 2. Effect of the Total Pressure on Surface Stability by Cristol, S, Paul, J. F, Payen, E, Bougeard, D, Clémendot, S, Hutschka, F

“…We investigate theoretically, by quantum DFT calculations, the adsorption of H2 molecules on the [100] MoS2 surfaces, considering various edge sulfur…”
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Parallel between infrared characterisation and ab initio calculations of CO adsorption on sulphided Mo catalysts by Travert, A., Dujardin, C., Maugé, F., Cristol, S., Paul, J.F., Payen, E., Bougeard, D.

“…Carbon monoxide adsorption on sulphided Mo catalysts has been investigated by means of IR spectroscopy and DFT ab initio calculations. IR experiments show that…”
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Employee Attitude Surveys: Examining the Attitudes of Noncompliant Employees by Rogelberg, Steven G, Luong, Alexandra, Sederburg, Matthew E, Cristol, Dean S

“…Employees ( N = 194) from a wide variety of organizations participated in this study aimed at describing the attitudes of individuals who refuse to respond to…”
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One-Pot Sol-Gel Preparation for Efficient Cobalt-Molybdenum-Titania Hydrotreating Catalysts by Nguyen, D. L., Gillot, S., Souza, D. O., Blanchard, P., Lamonier, C., Berrier, E., Kotbagi, T. V., Dongare, M. K., Umbarkar, S. B., Cristol, S., Payen, E., Lancelot, C.

“…Titania‐based hydrodesulfurization catalysts were prepared by using a one‐pot sol–gel method with the titanium peroxo complex as titanium precursor and…”
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Methanol conversion over TiO2-anatase supported oxomolybdate catalysts: an integrated operando - DFT modeling approach by La Fontaine, C., Yoboue, A., Berrier, E., Tougerti, A., Villain, F., Fonda, E., Hamraoui, K., Paul, J.-F., Cristol, S.

“…TiO 2 -supported molybdenum oxide has been studied through a combination of X-ray absorption near edge structure (XANES) and Raman operando spectroscopy. XANES…”
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Ultrastructure in anterior and posterior stroma of perfused human and rabbit corneas. Relation to transparency by Freund, DE, McCally, RL, Farrell, RA, Cristol, SM, L'Hernault, NL, Edelhauser, HF

“…The authors sought to discover whether there are differences in the degree of spatial order in the fibrillar ultrastructure between anterior and posterior…”
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Characterization of zinc oxide nanoparticles encapsulated into zeolite-Y: An in-situ combined X-ray diffraction, XAFS, and SAXS study by Meneau, F., Sankar, G., Morgante, N., Cristol, S., Catlow, C.R.A., Thomas, J.M., Greaves, G.N.

“…Characterization of zinc oxide containing zeolite Y was performed employing time-resolved in situ small angle X-ray scattering (SAXS), WAXS and EXAFS…”
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Effects of laser in situ keratomileusis (LASIK) on the corneal endothelium by Jones, Sarah S., Azar, Ramzy C., Cristol, Stephen M., Geroski, Dayle H., Waring, George O., Stulting, R. Doyle, Thompson, Keith P., Edelhauser, Henry F.

“…To assess the effects of laser in situ keratomileusis (LASIK) on the corneal endothelium. In a prospective study, the corneal endothelium of 98 eyes of 65…”
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Effect of low-dose probucol therapy on LDL oxidation and the plasma lipoprotein profile in male volunteers by Cristol, L S, Jialal, I, Grundy, S M

“…The effect of 4 months of low-dose probucol treatment (250 mg/day) on LDL oxidation and on plasma-HDL cholesterol was studied in a prospective, double-blind,…”
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Influence of water, dihydrogen and dioxygen on the stability of the Cr2O3 surface: A first-principles investigation by Souvi, Sidi M.O., Badawi, Michael, Virot, François, Cristol, Sylvain, Cantrel, Laurent, Paul, Jean-François

“…•DFT study of O2, H2O and H2 interaction with (0001) Cr2O3 surfaces.•Water adsorption on chromia surface: hydrated surface vs fully hydroxylation one.•Surface…”
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Structure and reducibility of titania-supported monomeric and dimeric molybdenum oxide entities studied by DFT calculations by Hamraoui, K., Cristol, S., Payen, E., Paul, J.-F.

“…Molybdenum oxide deposited on anatase can be used to catalyse mild oxidation of hydrocarbons or alcohols. The nature of the active site is still under debate…”
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DBT derivatives adsorption over molybdenum sulfide catalysts: a theoretical study by Cristol, Sylvain, Paul, Jean-François, Payen, Edmond, Bougeard, Daniel, Hutschka, François, Clémendot, Sylvain

“…We report density-functional calculations of dibenzothiophene and dimethyldibenzothiophene over different molybdenum sulfide surfaces representing the active…”
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Surface Structures and Crystal Morphology of ZnS:  Computational Study by Hamad, Said, Cristol, Sylvain, Catlow, C. Richard A

“…Both cubic and hexagonal phases of ZnS are modeled using interatomic potential based simulations and density functional theory. A new set of potential…”
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5-Fluorouracil after trabeculectomy and the iridocorneal endothelial syndrome by Wright, M M, Grajewski, A L, Cristol, S M, Parrish, R K

“…Nine patients (nine eyes) with iridocorneal endothelial (ICE) syndrome underwent trabeculectomy and received postoperative subconjunctival injections of…”
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DFT study of thiophene adsorption on molybdenum sulfide by Cristol, Sylvain, Paul, Jean-François, Schovsbo, Christian, Veilly, Edouard, Payen, Edmond

“…Density functional theory calculations of thiophene adsorption on the different surfaces of MoS 2 show, unlike previous theoretical works, that the most…”
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