Resultados de búsqueda - Density functionals

Hydration of Alkaline Earth Metal Dications: Effects of Metal Ion Size Determined Using Infrared Action Spectroscopy. por Bush, Matthew F., O'Brien, Jeremy T., Prell, James S., Chih-Che Wu, Saykally, Richard J., WiIIiams, Evan R.

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Assimilations and Replacements of Early and Middle Holocene Ceramic Productions Across Spatial and Temporal Boundaries in Northern Sudan. por Garcea, Elena A. A., D'Ercole, Giulia

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Origin of the Linear Relationship between CH/NH/O—SWNT Reaction Energies and Sidewall Curvature: Armchair Nanotubes. por Guishan Zheng, Zhi Wang, Irie, Stephan, Morokuma, Keiji

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Chemical Pressure-Driven Enhancement of the Hydrogen Evolving Activity of NiP from Nonmetal Surface Doping Interpreted via Machine Learning. por Wexler, Robert B., Martirez, John Mark P., Rappe, Andrew M.

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Thermodynamic Hydricities of Biomimetic Organic Hydride Donors. por Ilic, Stefan, Kadel, Usha Pandey, Basdogan, Yasemin, Keith, John A., Glusac, Ksenija D.

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Hybrid Dion-Jacobson 2D Lead Iodide Perovskites. por Mao, Lingling, Ke, Weijun, Pedesseau, Laurent, Wu, Yilei, Katan, Claudine, Even, Jacky, Wasielewski, Michael R., Stoumpos, Constantinos C., Kanatzidis, Mercouri G.

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Comparison of the Magnetic Anisotropy and Spin Relaxation Phenomenon of Dinuclear Terbium(III) Phthalocyaninato Single- Molecule Magnets Using the Geometric Spin Arrangement. por Morita, Takaumi, Katoh, Keiichi, Breedlove, Brian K., Yamashita*, Masahiro, Enders, Markus, Damjanovic, Marko, Lan, Yanhua, Wernsdorfer, Wolfgang, Kitagawa, Yasutaka, Yasuda, Nobuhiro

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Rhombohedral to Cubic Conversion of GeTe via MnTe Alloying Leads to Ultralow Thermal Conductivity, Electronic Band Convergence, and High Thermoelectric Performance. por Zheng Zheng, Rigui Deng, Hongyao Xie, Wei Liu, Yonggao Yan, Xinfeng Tang, Xianli Su, Stoumpos, Constantinos, Kanatzidis, Mercouri G., Shiqiang Hao, Wolverton, Chris, Uher, Ctirad

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Facile Dehydrogenation of Ethane on the IrO(110) Surface. por Yingxue Bian, Tao Li, Weaver, Jason F., Minkyu Kim, Asthagiri, Aravind

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Shape-Control of Pt-Ru Nanocrystals: Tuning Surface Structure for Enhanced Electrocatalytic Methanol Oxidation. por Liang Huang, Xueping Zhang, Qingqing Wang, Yujie Han, Youxing Fang, Shaojun Dong

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Negative Differential Conductance in Polyporphyrin Oligomers with Nonlinear Backbones. por Kuang, Guowen, Yan, Linghao, Lin, Nian, Chen, Shi Zhang, Chen, Ke Qiu, Shang, Xuesong, Liu, Pei Nian

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Direct Observation of Photoinduced Ultrafast Generation of Singlet and Triplet Quinone Methides in Aqueous Solutions and Insight into the Roles of Acidic and Basic Sites in Quinone... por Jiani Ma, Xiting Zhang, Basarić, Nikola, Phillips, David Lee

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Single-Acetylene Linked Porphyrin Nanorings. por Rickhaus, Michel, Jentzsch, Andreas Vargas, Tejerina, Lara, Grubner, Isabell, Jirasek, Michael, Claridge, Timothy D. W., Anderson, Harry L.

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Control of Fullerene Crystallization from 2D to 3D through Combined Solvent and Template Effects. por Daling Cui, Ebrahimi, Maryam, Rosei, Federico, Macleod, Jennifer M.

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Photo-CIDNP Reveals Different Protonation Sites Depending on the Primary Step of the Photoinduced Electron-/Proton-Transfer Process with Ru(II) Polyazaaromatic Complexes. por Troian-Gautier, Ludovic, Mugeniwabagara, Epiphanie, Fusaro, Luca, Cauët, Emilie, Kirsch-De Mesmaeker, Andrée, Luhmer, Michel

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A Stable Neutral Compound with an Aluminum--Aluminum Double Bond. por Bag, Prasenjit, Porzelt, Amelie, Altmann, Philipp J., Shigeyoshi Inoue

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Effects of Exercise Order of Combined Power and Endurance Training on Arterial Stiffness and Hemodynamic Parameters in Previously Trained Hypertensive Older Adults. por Gambassi, Bruno Bavaresco, de Sá Mota, Beatriz, Marques, David Guilherme, Ribeiro, Daniel Yakovi, Silva, Vinícius, Nunes, Luiz Alexandre, de Jesus Furtado Almeida, Fabiano, Aragão, Mayara, Costa, Celsiane do Espírito Santo, Bianco, Roberto, Rúa-Alonso, María, Schwingel, Paulo Adriano

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Comparative Efficacy of Different Aquatic Exercise Modalities on Cognitive Function in The Elderly: A Systematic Review and Network Meta-Analysis. por Song, Jinglei, Ma, Zhili, Luo, Bingting, Liao, Ting, Wang, Yong "Tai", Zhao, Ziren, Zheng, Xin

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Analysis of the baseline multiphase computed tomographic angiography findings to predict clinical outcomes in patients with middle cerebral artery M1 occlusion treated with mechani... por Çıvgın, Esra, Bayındır, Hasan

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Sex Differences in Spatiotemporal Consistency and Effective Connectivity of the Precuneus in Autism Spectrum Disorder. por Gao, Le, Zhang, Tengda, Zhang, Yigeng, Liu, Junfeng, Guo, Xiaonan

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