Search Results - "CARRERA, S"

Gravitational decoupled interior solutions from Kohler–Chao–Tikekar cosmological model by Andrade, J., Oswaldo-Villacrés, Carrera, S., Santana, D.

“…This paper is devoted to obtaining and studying two interior exact solutions of Einstein’s Field Equations (EFE) for spherical geometry in the context of…”
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From computational discovery to experimental characterization of a high hole mobility organic crystal by Sokolov, Anatoliy N., Atahan-Evrenk, Sule, Mondal, Rajib, Akkerman, Hylke B., Sánchez-Carrera, Roel S., Granados-Focil, Sergio, Schrier, Joshua, Mannsfeld, Stefan C.B., Zoombelt, Arjan P., Bao, Zhenan, Aspuru-Guzik, Alán

“…For organic semiconductors to find ubiquitous electronics applications, the development of new materials with high mobility and air stability is critical…”
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The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid by Hachmann, Johannes, Olivares-Amaya, Roberto, Atahan-Evrenk, Sule, Amador-Bedolla, Carlos, Sánchez-Carrera, Roel S, Gold-Parker, Aryeh, Vogt, Leslie, Brockway, Anna M, Aspuru-Guzik, Alán

“…This Perspective introduces the Harvard Clean Energy Project (CEP), a theory-driven search for the next generation of organic solar cell materials. We give a…”
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Conceptualizing Trust and Distrust as Alternative Stable States: Lessons from the Flint Water Crisis by Hamm, J A, Carrera, J S, Van Fossen, J A, Key, K D, Woolford, S J, Bailey, S B, McKay, A S, Evans, L B, Calhoun, K D

“…Despite the universally recognized importance of fostering trust and avoiding distrust in governance relationships, there remains considerable debate on core…”
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Interaction of Charge Carriers with Lattice Vibrations in Oligoacene Crystals from Naphthalene to Pentacene by Sánchez-Carrera, Roel S, Paramonov, Pavel, Day, Graeme M, Coropceanu, Veaceslav, Brédas, Jean-Luc

“…A key feature of organic π-conjugated materials is the strong connection between their electronic and geometric structures. In particular, it has been recently…”
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Characterization of novel markers of senescence and their prognostic potential in cancer by Althubiti, M, Lezina, L, Carrera, S, Jukes-Jones, R, Giblett, S M, Antonov, A, Barlev, N, Saldanha, G S, Pritchard, C A, Cain, K, Macip, S

“…Cellular senescence is a terminal differentiation state that has been proposed to have a role in both tumour suppression and ageing. This view is supported by…”
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Charge Transport Parameters of the Pentathienoacene Crystal by Kim, Eung-Gun, Coropceanu, Veaceslav, Gruhn, Nadine E, Sánchez-Carrera, Roel S, Snoeberger, Robert, Matzger, Adam J, Brédas, Jean-Luc

“…Pentathienoacene, the thiophene equivalent of pentacene, is one of the latest additions to the family of organic crystal semiconductors with a great potential…”
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Impact of Perfluorination on the Charge-Transport Parameters of Oligoacene Crystals by Delgado, M. Carmen Ruiz, Pigg, Kathryn R, da Silva Filho, Demétrio A, Gruhn, Nadine E, Sakamoto, Youichi, Suzuki, Toshiyasu, Osuna, Reyes Malavé, Casado, Juan, Hernández, Víctor, Navarrete, Juan Teodomiro López, Martinelli, Nicolas G, Cornil, Jérôme, Sánchez-Carrera, Roel S, Coropceanu, Veaceslav, Brédas, Jean-Luc

“…The charge-transport parameters of the perfluoropentacene and perfluorotetracene crystals are studied with a joint experimental and theoretical approach that…”
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Modeling the Migration of Platinum Nanoparticles on Surfaces Using a Kinetic Monte Carlo Approach by Li, Lin, Plessow, Philipp N, Rieger, Michael, Sauer, Simeon, Sánchez-Carrera, Roel S, Schaefer, Ansgar, Abild-Pedersen, Frank

“…We propose a kinetic Monte Carlo (kMC) model for simulating the movement of platinum particles on supports, based on atom-by-atom diffusion on the surface of…”
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The Solubility of Gases in Ionic Liquids: A Chemoinformatic Predictive and Interpretable Approach by Carrera, Gonçalo V. S. M., Inês, João, Bernardes, Carlos E. S., Klimenko, Kyrylo, Shimizu, Karina, Canongia Lopes, José N.

“…This work comprises the study of solubilities of gases in ionic liquids (ILs) using a chemoinformatic approach. It is based on the codification, of the atomic…”
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Immunogenicity of CIGB-230, a therapeutic DNA vaccine preparation, in HCV-chronically infected individuals in a Phase I clinical trial by Alvarez-Lajonchere, L., Shoukry, N. H., Grá, B., Amador-Cañizares, Y., Helle, F., Bédard, N., Guerra, I., Drouin, C., Dubuisson, J., González-Horta, E. E., Martínez, G., Marante, J., Cinza, Z., Castellanos, M., Dueñas-Carrera, S.

“…Hepatitis C virus (HCV) is a worldwide health problem. No vaccine is available against this pathogen and therapeutic treatments currently in use are of limited…”
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Ionic Liquids and Salts from Ibuprofen as Promising Innovative Formulations of an Old Drug by Santos, Miguel M., Raposo, Luís R., Carrera, Gonçalo V. S. M., Costa, Alexandra, Dionísio, Madalena, Baptista, Pedro V., Fernandes, Alexandra R., Branco, Luís C.

“…Herein we report the synthesis of novel ionic liquids (ILs) and organic salts by combining ibuprofen as anion with ammonium, imidazolium, or pyridinium…”
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Revealing the structure of a catalytic combustion active-site ensemble combining uniform nanocrystal catalysts and theory insights by Yang, An-Chih, Choksi, Tej, Streibel, Verena, Aljama, Hassan, Wrasman, Cody J., Roling, Luke T., Goodman, Emmett D., Thomas, Dionne, Bare, Simon R., Sánchez-Carrera, Roel S., Schäfer, Ansgar, Li, Yuejin, Abild-Pedersen, Frank, Cargnello, Matteo

“…Supported metal catalysts are extensively used in industrial and environmental applications. To improve their performance, it is crucial to identify the most…”
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Microkinetic Modeling of Propene Combustion on a Stepped, Metallic Palladium Surface and the Importance of Oxygen Coverage by Streibel, Verena, Aljama, Hassan A, Yang, An-Chih, Choksi, Tej S, Sánchez-Carrera, Roel S, Schäfer, Ansgar, Li, Yuejin, Cargnello, Matteo, Abild-Pedersen, Frank

“…Better emission control of internal combustion engines can be achieved by more efficient catalytic hydrocarbon combustion at low temperatures. For a…”
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QSPR modeling of selectivity at infinite dilution of ionic liquids by Klimenko, Kyrylo, Carrera, Gonçalo V. S. M.

“…The intelligent choice of extractants and entrainers can improve current mixture separation techniques allowing better efficiency and sustainability of…”
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Protective T Cell and Antibody Immune Responses against Hepatitis C Virus Achieved Using a Biopolyester-Bead-Based Vaccine Delivery System by Martínez-Donato, G, Piniella, B, Aguilar, D, Olivera, S, Pérez, A, Castañedo, Y, Alvarez-Lajonchere, L, Dueñas-Carrera, S, Lee, J W, Burr, N, Gonzalez-Miro, M, Rehm, B H A

“…Hepatitis C virus (HCV) infection is a major worldwide problem. Chronic hepatitis C is recognized as one of the major causes of cirrhosis, hepatocellular…”
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Theoretical Characterization of the Air-Stable, High-Mobility Dinaphtho[2,3-b:2′3′-f]thieno[3,2-b]-thiophene Organic Semiconductor by Sánchez-Carrera, Roel S, Atahan, Sule, Schrier, Joshua, Aspuru-Guzik, Alán

“…Recently, an optimum mobility of 8.3 cm2/(Vs) has been measured for single-crystal organic field-effect transistors based on the…”
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Influence of Structural Dynamics on Polarization Energies in Anthracene Single Crystals by Martinelli, Nicolas G, Idé, Julien, Sánchez-Carrera, Roel S, Coropceanu, Veaceslav, Brédas, Jean-Luc, Ducasse, Laurent, Castet, Frédéric, Cornil, Jérôme, Beljonne, David

“…Normal mode sampling and molecular dynamics simulations are coupled to a valence-bond/Hartree−Fock approach to evaluate the impact of the lattice and molecular…”
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Prediction of the Phase Composition Profile of Three‐Compound Mixtures in Liquid‐Liquid Equilibrium: A Chemoinformatics Approach by Carrera, Gonçalo V. S. M., Cruz, Mariana L., Klimenko, Kyrylo, Esperança, José M. S. S., Aires‐de‐Sousa, João

“…Machine‐learning models were developed to predict the composition profile of a three‐compound mixture in liquid‐liquid equilibrium (LLE), given the global…”
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Oxidative removal of dibenzothiophene in a biphasic system using sol―gel Fe—TiO2 catalysts and H2O2 promoted with acetic acid by ARELLANO, U, WANG, J. A, TIMKO, M. T, CHEN, L. F, CARRERA, S. P. Paredes, ASOMOZA, M, VARGAS, O. A. González, LLANOS, M. E

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