Search Results - "Moya, C"

A Comprehensive Comparison of the IEFPCM and SS(V)PE Continuum Solvation Methods with the COSMO Approach by Klamt, A, Moya, C, Palomar, J

“…Dielectric continuum models are popular for modeling solvent effects in quantum chemical calculations. The polarizable continuum model (PCM) was originally…”
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Magnetization Process of Atacamite: A Case of Weakly Coupled S = 1 / 2 Sawtooth Chains by Heinze, L., Jeschke, H. O., Mazin, I. I., Metavitsiadis, A., Reehuis, M., Feyerherm, R., Hoffmann, J.-U., Bartkowiak, M., Prokhnenko, O., Wolter, A. U. B., Ding, X., Zapf, V. S., Corvalán Moya, C., Weickert, F., Jaime, M., Rule, K. C., Menzel, D., Valentí, R., Brenig, W., Süllow, S.

“…We present a combined experimental and theoretical study of the mineral atacamite Cu2Cl(OH)3. Density-functional theory yields a Hamiltonian describing…”
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Demonstrating the key role of kinetics over thermodynamics in the selection of ionic liquids for CO2 physical absorption by Palomar, J., Larriba, M., Lemus, J., Moreno, D., Santiago, R., Moya, C., de Riva, J., Pedrosa, G.

“…•50 ILs were evaluated as CO2 physical absorbents by simulations and experiments.•CO2 absorption in commercial column is a strongly kinetically controlled…”
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Analysis of erbium diffusion in zirconium-niobium alloys using neutron imaging and laser-induced breakdown spectroscopy by Carricondo, J., Soria, S.R., Santisteban, J.R., Kardjilov, N., Iribarren, M., Corvalán-Moya, C.

“…Due to its high neutron absorption, Erbium can be incorporated as a burnable poison in a proposed three layered fuel cladding made of zirconium alloys. Control…”
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Enterprise Ionic Liquids Database (ILUAM) for Use in Aspen ONE Programs Suite with COSMO-Based Property Methods by Ferro, V. R, Moya, C, Moreno, D, Santiago, R, de Riva, J, Pedrosa, G, Larriba, M, Diaz, I, Palomar, J

“…An enterprise database of pure ionic liquids (ILs) for its use in the Aspen ONE programs is presented. The database is identified as ILUAM, and the first…”
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Thermodynamic Modeling of the (Ce and Sm)-Ru Binary Systems Based on Linear, Exponential, and Combined Models Aided by Ab-Initio Calculations by Kardellass, S., Corvalan-Moya, C., Vassiliev, V. P.

“…Thermodynamic optimization of the Ln - Ru (where Ln = Ce and Sm ) binary systems was carried out by means of CALPHAD method. Our approach is based on the…”
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The Effect of Social Comparison Feedback and Value Statements in a Clinic by Phillabaum, Curtis, Alarcón Moya, Estefanía C., Ferguson, Rachael E.

“…This report from the field assessed the effects of graphic and verbal social comparison feedback on the number of end-of-shift cleaning tasks completed by…”
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From kinetics to equilibrium control in CO2 capture columns using Encapsulated Ionic Liquids (ENILs) by Santiago, R., Lemus, J., Moreno, D., Moya, C., Larriba, M., Alonso-Morales, N., Gilarranz, M.A., Rodríguez, J.J., Palomar, J.

“…•ILs with high viscosity values gets worse absorbent performance and CO2 recovery.•ENIL materials overcome the mass transfer constrains in CO2 absorption by…”
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A systematic review of population-based studies on lipid profiles in Latin America and the Caribbean by Carrillo-Larco, Rodrigo M, Benites-Moya, C Joel, Anza-Ramirez, Cecilia, Albitres-Flores, Leonardo, Sánchez-Velazco, Diana, Pacheco-Barrios, Niels, Bernabe-Ortiz, Antonio

“…We aimed to study time trends and levels of mean total cholesterol and lipid fractions, and dyslipidaemias prevalence in Latin America and the Caribbean (LAC)…”
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Aspen Plus supported analysis of the post-combustion CO2 capture by chemical absorption using the [P2228][CNPyr] and [P66614][CNPyr]AHA Ionic Liquids by de Riva, J., Ferro, V., Moya, C., Stadtherr, M.A., Brennecke, J.F., Palomar, J.

“…•Rigorous Rate-based simulations show that the CO2 chemical capture using AHA ILs shows almost no mass transfer limitations.•Addition of tetraglyme as a…”
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Acetylene absorption by ionic liquids: A multiscale analysis based on molecular and process simulation by Santiago, R., Bedia, J., Moreno, D., Moya, C., de Riva, J., Larriba, M., Palomar, J.

“…•COSMO-based/Aspen Plus multiscale methodology was applied.•Ions combinations were used to evaluate solubility and diffusivity of acetylene.•Competitive ionic…”
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Azathioprine hypersensitivity syndrome: report of two cases with cutaneous manifestations by Moya‐Martínez, C., Núñez‐Hipólito, L., Barrio‐González, S., Santonja, C., Jo‐Velasco, M., Lorda‐Sánchez, I., Fariña‐Sabaris, M. C., Requena, L.

“…Summary Azathioprine is an immunosuppressant drug used in many dermatological and nondermatological pathologies. Azathioprine hypersensitivity syndrome (AHS)…”
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International Nosocomial Infection Control Consortium (INICC) report of health care-associated infections, data summary of 25 countries for 2014 to 2023, Surgical Site Infections Module by Rosenthal, Victor Daniel, Yin, Ruijie, Jin, Zhilin, Alkhawaja, Safaa Abdulaziz, Zuñiga-Chavarria, Maria Adelia, Salgado, Estuardo, El-Kholy, Amani, Zuniga Moya, Julio C., Patil, Priyanka, Nadimpalli, Gita, Pattabhiramarao, Rao Nadimpalli, Zala, Dolatsinh, Villegas-Mota, Isabel, Ider, Bat-Erdene, Tumu, Nellie, Duszynska, Wieslawa, Nguyet, Le Thi Thu, Nair, Pravin K., Memish, Ziad A.

“…Surgical site infection (SSI) rates are higher in low-resource countries (LRC) than in high-income counterparts. Prospective cohort study using the INICC…”
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Endocrine biomarkers related to sleep-wake cycle and sleep disturbances in patients with bipolar disorder: A systematic review by Gonzalez-Blanco, L., Moya Lacasa, C., Jiménez-Fernández, S., Valtueña, M., Martinez-Cao, C., García Fernández, A., Saiz, P.A., Garcia-Portilla, M.P., Bobes, J., Gutierrez Rojas, L.

“…Introduction Sleep and circadian disturbances have been widely studied in patients with bipolar disorder (BD) (Duarte Faria et al., 2015; Gonzalez, 2014)…”
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Orexins and bipolar disorder: A review by Moya Lacasa, C., Gonzalez-Blanco, L., Martinez-Cao, C., Alvarez-Vazquez, C.M., Martin-Gil, E., García Fernández, A., Saiz, P.A., Bobes, J., Garcia-Portilla, M.P.

“…Introduction Bipolar disorder (BD) is a chronic deteriorating illness which has a strong impact on functionality. In the past few years, orexins have gained…”
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Treatment of Acinetobacter baumannii severe infections by Reina, R., León-Moya, C., Garnacho-Montero, J.

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Economic impact of managing invasive mold disease with isavuconazole compared with liposomal amphotericin B followed by posaconazole in Spain by Moya-Alarcón, C, Azanza, J R, Barberán, J, Ferrer, R, Kwon, M, Moreno, A, Rubio-Terrés, C, Gálvez-Santisteban, M

“…Invasive fungal infections (IFI) are associated with significant morbidity and mortality. The objective of this work was to compare the costs per adult…”
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Immigrants and Associations: A Global and Historical Perspective by Moya, Jose C.

“…Drawing on the international literature on migration and immigrant associations, mainly in the context of North and South America, but also including several…”
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A dengue outbreak in a rural community in Northern Coastal Ecuador: An analysis using unmanned aerial vehicle mapping by Lee, Gwenyth O, Vasco, Luis, Márquez, Sully, Zuniga-Moya, Julio C, Van Engen, Amanda, Uruchima, Jessica, Ponce, Patricio, Cevallos, William, Trueba, Gabriel, Trostle, James, Berrocal, Veronica J, Morrison, Amy C, Cevallos, Varsovia, Mena, Carlos, Coloma, Josefina, Eisenberg, Joseph N S

“…Dengue is recognized as a major health issue in large urban tropical cities but is also observed in rural areas. In these environments, physical…”
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Improvement of CO2 capture processes by tailoring the reaction enthalpy of Aprotic N‑Heterocyclic anion-based ionic liquids by Hospital-Benito, D., Lemus, J., Moya, C., Santiago, R., Palomar, J.

“…•93 AHA-ILs were designed by DFT/COSMO-RS methodology as new CO2 chemical absorbents.•A techno-economic analysis was performed using 12 representative…”
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