Resultados de búsqueda - Density functionals

Computational Simulation of the Bioactivity of Selected Compounds Derived From the Sapium and Salvias Genera as Anticancer Agents. por Ouma, Russell B. O., Raza, Usama, Ngari, Silas M., Kibet, Joshua K., Nisar, Uzair, Ali, Muhammad Waqar, Banerjee, Baisakhi

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Task-Oriented Plyometric Intervention for Augmenting Upper Extremity Strength and Function in Hemiparetic Cerebral Palsy: A Randomized Controlled Trial. por Elnaggar, Ragab K, Ramirez-Campillo, Rodrigo, Elfakharany, Mahmoud S, Alrawaili, Saud M, Alghadier, Mshari, Alotaibi, Mazyad A, El-Basatiny, Heba MY, Elsaeed, Tamer M

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The role of psoas muscle index in predicting outcomes after radical cystectomy. por Duarte, Sara L., Alexandre, João, Felício, Eduardo M., Bernardo, Guilherme Silva, Gaboleiro, Filipe A., Pita, André J., Carmali, Diogo, Furtado, Andrea M., Pinheiro, António M., Barcelos, André P., Ramos, Sónia A.

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Protozoos y metazoos presentes en dos sistemas de tratamiento de agua residual y su relación con el Índice Biológico de Lodos. por Loría-Naranjo, Margarita

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Electrostatic and Allosteric Cooperativity in Ion-Pair Binding: A Quantitative and Coupled Experiment-Theory Study with Aryl-Triazole-Ether Macrocycles. por Bo Qiao, Sengupta, Arkajyoti, Yun Liu, McDonald, Kevin P., Pink, Maren, Anderson, Joseph R., Raghavachari, Krishnan, Flood, Amar H.

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Mechanism of Oxidation of Ethane to Ethanol at lron(IV)-Oxo Sites in Magnesium-Diluted Fe(dobdc). por Verma, Pragya, Vogiatzis, Konstantinos D., Planas, Nora, Borycz, Joshua, Xiao, Dianne J., Long, Jeffrey R., Gagliardi, Laura, Truhlar, Donald G.

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Palladium-Catalyzed C-H Functionalization of Acyldiazomethane and Tandem Cross-Coupling Reactions. por Fei Ye, Shuanglin Qu, Lei Zhou, Cheng Peng, Chengpeng Wang, Jiajia Cheng, Lokman Hossain, Mohammad, Yizhou Liu, Yan Zhang, Zhi-Xiang Wang, Jianbo Wang

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Reaction Mechanism of the Anomalous Formal Nucleophilic Borylation of Organic Halides with Silylborane: Combined Theoretical and Experimental Studies. por Ryohei Uematsu, Eiji Yamamoto, Satoshi Maeda, Hajime Ito, Tetsuya Taketsugu

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"Darker-than-Black" PbS Quantum Dots: Enhancing Optical Absorption of Colloidal Semiconductor Nanocrystals via Short Conjugated Ligands. por Giansante, Carlo, Infante, Ivan, Fabiano, Eduardo, Grisorio, Roberto, Suranna, Gian Paolo, Gigli, Giuseppe

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Adatoms underneath Single Porphyrin Molecules on Au(111). por Mielke, Johannes, Hanke, Felix, Peters, Maike V., Hecht, Stefan, Persson, Mats, Grill, Leonhard

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Au Nanocluster Featuring a V-Shaped Alkynyl--Gold Motif. por Xian-Kai Wan, Qing Tang, Shang-Fu Yuan, De-en Jiang, Quan-Ming Wang

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Ion Intercalation into Two-Dimensional Transition-Metal Carbides: Global Screening for New High-Capacity Battery Materials. por Eames, Christopher, Islam, M. Saiful

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An Intermediate Cobalt(IV) Nitrido Complex and its N-Migratory Insertion Product. por Zolnhofer, Eva M., Käβ, Martina, Khusniyarov, Marat M., Heinemann, Frank W., Maron, Laurent, van Gaste, Maurice, Bill, Eckhard, Meyer, Karsten

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Ecological Status of a Patagonian Mountain River: Usefulness of Environmental and Biotic Metrics for Rehabilitation Assessment. por Laura, Miserendino, Adriana, M., Cecilia, Brand, Ludmila, Manna, Cecilia, Prinzio, Gabriela, Papazian, José, Bava

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Assessment of renal allograft function early after transplantation with isotropic resolution diffusion tensor imaging. por Fan, Wen-jun, Ren, Tao, Li, Qiong, Zuo, Pan-li, Long, Miao-miao, Mo, Chun-bai, Chen, Li-hua, Huang, Li-xiang, Shen, Wen

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Equivocation for the Objective Bayesian. por Masterton, George

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Hydrogen-Bonded Cyclic Water Clusters Nucleated on an Oxide Surface. por Kronawitter, Coleman X., Riplinger, Christoph, Xiaobe He, Zahl, Percy, Carter, Emily A., Sutter, Peter, Koel, Bruce E.

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Manipulating Magnetism: Ru Paddlewheels Devoid of Axial Interactions. por Chiarella, Gina M., Cotton, F. Albert, Murillo, Carlos A., Ventura, Karen, Villagrán, Dino, Xiaoping Wang

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A Unified Picture of Adsorption on Transition Metals through Different Atoms. por Montemore, Matthew M., Medlin, J. Will

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Experimental and Computational Studies of the Neutral and Reduced States of Indeno[1,2-b]fluorene. por Rose, Bradley D., Sumner, Natalie J., Filatov, Alexander S., Peters, Steven J., Zakharov, Lev N., Petrukhina, Marina A., Haley, Michael M.

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