Resultados de búsqueda - Density functionals~

Association of 24-Hour Computed Tomography Infarct Density on Functional Outcomes in Stroke: Secondary Analysis From the AcT Trial. por Pensato, Umberto, Zhang, Jianhai, Barakhanov, Kazbek, Tanaka, Koji, Bala, Fouzi, Kaveeta, Chitapa, Almekhlafi, Mohammed, Dowlatshahi, Dar, Field, Thalia S., Tkach, Aleksander, Swartz, Rick, Hunter, Gary, Shankar, Jai J. S., Ademola, Ayoola, Shamy, Michel, Hu, Sherry X., Gubitz, Gordon, Demchuk, Andrew M., Menon, Bijoy K., Ganesh, Aravind

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Anabolic‐steroid therapy after geriatric proximal femur fracture: a level I evidence systematic review and meta-analysis of bone density, functional recovery, and safety. por Box, McKenna W., O'Connor, Kyle P., Major, Josh, Puga, Troy B., Scambler, Winston, Riehl, John T.

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Associations of CT Muscle Area and Density With Functional Outcomes and Mortality Across Anatomical Regions in Older Men. por Hetherington‐Rauth, Megan, Mansfield, Tyler A., Lenchik, Leon, Weaver, Ashley A., Cawthon, Peggy M.

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Automerization of Cyclobutadiene: Multiconfiguration Pair-Density Functional Theory Gives High Accuracy Where Unrestricted Kohn–Sham Density Functional Theory Does Not. por Parameswaran, Aiswarya M., Truhlar, Donald G.

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Density functional theory insight into the role of Al and V in Ti–6Al–4V dental implants: structural, electronic, and mechanical properties. por Yang, Yang, Wang, Jiu-Ning, Hu, Li-Xia, Qasim, Liu, Xue-Cheng, Xu, Wei

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DENSITY-FUNCTIONAL STUDY OF THE STRUCTURE OF PHOTOEXCITED LITHIUM-DOPED NEON CLUSTERS. por PÉREZ-CASTILLO, R., URANGA-PIÑA, L., MARTÍNEZ-MESA, A.

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Modulating Intermediate Reactivity for Nitrogen Oxide Selective Catalytic Reduction through Dual Scaling Laws: A Synergetic In Situ Diffuse Reflectance Infrared Fourier Transform S... por Mu, Wentao, Zhang, Wenbiao, Ma, Shichao, Zhang, Zile, He, Hongyan, Liu, Shubin, Li, Xuehui

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Understanding the effects of amine and morpholine adsorption on unglazed earthenware using density functional theory. por Heimann, Jessica E., Rosenzweig, Zeev, Bennett, Joseph W.

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Effect of whole body vibration training on bone mineral density and functional capacity in children with thalassemia. por Eid, Mohamed A., Aly, Sobhy M.

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Body composition, bone mineral density, and functional impairment in axial spondyloarthritis: a 36-month longitudinal study. por Ceolin, Chiara, Bindoli, Sara, Cozzi, Giacomo, di Marzio, Benedetta, Lorenzin, Mariagrazia, De Rui, Marina, Sfriso, Paolo, Doria, Andrea, Sergi, Giuseppe, Ramonda, Roberta

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Experimentally Derived Charge Density of Halogen Bonds to Heavy Pnictogens: Revealing Electronic Structure and Validating Density Functional Theory Approaches. por Kumar, Lavanya, Dash, Sibananda G., Malinska, Maura, Cinčić, Dominik, Arhangelskis, Mihails

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Noncovalent Interactions in Density Functional Theory: All the Charge Density We Do Not See. por Khabibrakhmanov, Almaz, Gori, Matteo, Müller, Carolin, Tkatchenko, Alexandre

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Study of dynamic and thermodynamic properties of zinc-blend and wurtzite cadmium sulfide (CdS) using density functional theory. por Edossa, Teshome Gerbaba, Woldemariam, Menberu Mengasha

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Density Functional Theory Investigation of Polycyclical Peroxide Stability. por Simon, Charles Joseph, Davies, Don R., Berghout, H. Laine

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Stable and Accurate Orbital-Free Density Functional Theory Powered by Machine Learning. por Remme, Roman, Kaczun, Tobias, Ebert, Tim, Gehrig, Christof A., Geng, Dominik, Gerhartz, Gerrit, Ickler, Marc K., Klockow, Manuel V., Lippmann, Peter, Schmidt, Johannes S., Wagner, Simon, Dreuw, Andreas, Hamprecht, Fred A.

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NOx decomposition through seaweed biocarbon as biosourced catalyst: Experimental and density functional theory approaches. por Pelé, Ronan, González Martínez, María, Nzihou, Ange

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In vitro antimicrobial activities, molecular docking and density functional theory (DFT) evaluation of natural product-based vanillin derivatives featuring halogenated azo dyes. por Ngaini, Zainab, Hissam, Mohamad Azmeer, Mortadza, Nur Arif, Abd Halim, Ainaa Nadiah, Daud, Adibah Izzati

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Chorio-retinal vessel density in women affected by functional hypothalamic amenorrhea: a monocentric observational cross-sectional study to evaluate the impact of hypoestrogenism o... por Diterlizzi, Alice, Tropea, Anna, Angelini, Emanuela, Cestrone, Valentina, Fasciani, Romina, Merola, Annamaria, Notaristefano, Giovanna, Policriti, Martina Asia, Polimeno, Teresa, Ranalli, Monia, Savastano, Maria Cristina, Tannous, Ghazal, Versace, Valeria, Rizzo, Stanislao, Scambia, Giovanni, Lanzone, Antonio, Apa, Rosanna

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Comment on: Associations of CT Muscle Area and Density With Functional Outcomes and Mortality Across Anatomical Regions in Older Men...Hetherington RM, Mansfield TA, Lenchik L, et... por Tan, Li Feng, Low, Xizhen, Koh, Frederick H.

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Reply to Comment on: Associations of CT Muscle Area and Density With Functional Outcomes and Mortality Across Anatomical Regions in Older Men...Tan LF, Low X, Koh FH. Journal of th... por Hetherington‐Rauth, Megan, Weaver, Ashley A., Cawthon, Peggy M.

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