Search Results - Density functionals

Association of 24-Hour Computed Tomography Infarct Density on Functional Outcomes in Stroke: Secondary Analysis From the AcT Trial. by 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. by 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. by 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. by 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. by 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. by 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... by 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. by 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. by 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. by 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. by 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. by 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. by Edossa, Teshome Gerbaba, Woldemariam, Menberu Mengasha

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Density Functional Theory Investigation of Polycyclical Peroxide Stability. by 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. by 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. by 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. by 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... by 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... by 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... by Hetherington‐Rauth, Megan, Weaver, Ashley A., Cawthon, Peggy M.

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