Results for Density functionals

Results for Density functionals Showing 1 - 50 results of 3496 Laminas_Feed_Writer 2 (https://getlaminas.org) https://descubridor.academia.cl/EIT/Search?limit=50&lookfor=Density+functionals&type=TX&lng=en 3496 0 50 Association of 24-Hour Computed Tomography Infarct Density on Functional Outcomes in Stroke: Secondary Analysis From the AcT Trial. Sun, 01 Jan 0006 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/194461846 https://descubridor.academia.cl/EITRecord/194461846 Pensato, Umberto Journal Article 2026-06-02 Pensato, Umberto 0 Anabolic‐steroid therapy after geriatric proximal femur fracture: a level I evidence systematic review and meta-analysis of bone density, functional recovery, and safety. Thu, 01 Jan 2026 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/191132510 https://descubridor.academia.cl/EITRecord/191132510 Box, McKenna W. meta analysis research systematic review tables/charts Journal Article 2026-01-01 Box, McKenna W. 0 Associations of CT Muscle Area and Density With Functional Outcomes and Mortality Across Anatomical Regions in Older Men. Wed, 01 Jan 2025 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/188235342 https://descubridor.academia.cl/EITRecord/188235342 Hetherington‐Rauth, Megan directories research tables/charts Journal Article 2025-09-01 Hetherington‐Rauth, Megan 0 Automerization of Cyclobutadiene: Multiconfiguration Pair-Density Functional Theory Gives High Accuracy Where Unrestricted Kohn–Sham Density Functional Theory Does Not. Wed, 01 Jan 0003 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/192125861 https://descubridor.academia.cl/EITRecord/192125861 Parameswaran, Aiswarya M. Article 2026-03-04 Parameswaran, Aiswarya M. 0 Density functional theory insight into the role of Al and V in Ti–6Al–4V dental implants: structural, electronic, and mechanical properties. Thu, 01 Jan 0009 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/188314864 https://descubridor.academia.cl/EITRecord/188314864 Yang, Yang equations & formulas research tables/charts Journal Article 2025-09-26 Yang, Yang 0 DENSITY-FUNCTIONAL STUDY OF THE STRUCTURE OF PHOTOEXCITED LITHIUM-DOPED NEON CLUSTERS. Sun, 01 Jan 2017 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/124257184 https://descubridor.academia.cl/EITRecord/124257184 PÉREZ-CASTILLO, R. Article 2017 PÉREZ-CASTILLO, R. 0 Modulating Intermediate Reactivity for Nitrogen Oxide Selective Catalytic Reduction through Dual Scaling Laws: A Synergetic In Situ Diffuse Reflectance Infrared Fourier Transform Spectroscopy and Density Functional Theory Study. Wed, 01 Jan 0003 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/192255904 https://descubridor.academia.cl/EITRecord/192255904 Mu, Wentao Article 2026-03-11 Mu, Wentao 0 Understanding the effects of amine and morpholine adsorption on unglazed earthenware using density functional theory. Sun, 01 Jan 2023 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/164260517 https://descubridor.academia.cl/EITRecord/164260517 Heimann, Jessica E. Article 2023-05-01 Heimann, Jessica E. 0 Effect of whole body vibration training on bone mineral density and functional capacity in children with thalassemia. Fri, 01 Jan 2021 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/148301458 https://descubridor.academia.cl/EITRecord/148301458 Eid, Mohamed A. research tables/charts randomized controlled trial Journal Article 2021-02-01 Eid, Mohamed A. 0 Body composition, bone mineral density, and functional impairment in axial spondyloarthritis: a 36-month longitudinal study. Thu, 01 Jan 0009 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/188357122 https://descubridor.academia.cl/EITRecord/188357122 Ceolin, Chiara Journal Article 2025-09-30 Ceolin, Chiara 0 Experimentally Derived Charge Density of Halogen Bonds to Heavy Pnictogens: Revealing Electronic Structure and Validating Density Functional Theory Approaches. Sat, 01 Jan 0011 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/189637818 https://descubridor.academia.cl/EITRecord/189637818 Kumar, Lavanya Article 2025-11-26 Kumar, Lavanya 0 Noncovalent Interactions in Density Functional Theory: All the Charge Density We Do Not See. Sat, 01 Jan 0011 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/189139227 https://descubridor.academia.cl/EITRecord/189139227 Khabibrakhmanov, Almaz Article 2025-11-05 Khabibrakhmanov, Almaz 0 Study of dynamic and thermodynamic properties of zinc-blend and wurtzite cadmium sulfide (CdS) using density functional theory. Sat, 01 Jan 2022 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/155148741 https://descubridor.academia.cl/EITRecord/155148741 Edossa, Teshome Gerbaba Article 2022-02-01 Edossa, Teshome Gerbaba 0 Density Functional Theory Investigation of Polycyclical Peroxide Stability. Fri, 01 Jan 2016 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/122892629 https://descubridor.academia.cl/EITRecord/122892629 Simon, Charles Joseph Article 2016 Simon, Charles Joseph 0 Stable and Accurate Orbital-Free Density Functional Theory Powered by Machine Learning. Tue, 01 Jan 0008 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/187347043 https://descubridor.academia.cl/EITRecord/187347043 Remme, Roman Article 2025-08-13 Remme, Roman 0 NOx decomposition through seaweed biocarbon as biosourced catalyst: Experimental and density functional theory approaches. Thu, 01 Jan 2026 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/191813056 https://descubridor.academia.cl/EITRecord/191813056 Pelé, Ronan Article 2026-03-01 Pelé, Ronan 0 In vitro antimicrobial activities, molecular docking and density functional theory (DFT) evaluation of natural product-based vanillin derivatives featuring halogenated azo dyes. Mon, 01 Jan 2024 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/180732995 https://descubridor.academia.cl/EITRecord/180732995 Ngaini, Zainab Journal Article 2024-11-01 Ngaini, Zainab 0 Chorio-retinal vessel density in women affected by functional hypothalamic amenorrhea: a monocentric observational cross-sectional study to evaluate the impact of hypoestrogenism on chorio-retinal vascularization. Mon, 01 Jan 2024 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/179605364 https://descubridor.academia.cl/EITRecord/179605364 Diterlizzi, Alice Journal Article 2024-10-01 Diterlizzi, Alice 0 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 al. Journal of the American Geriatrics Society. 2025;73(9):2717-2726. Thu, 01 Jan 2026 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/192265446 https://descubridor.academia.cl/EITRecord/192265446 Tan, Li Feng commentary letter Journal Article 2026-01-01 Tan, Li Feng 0 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 the American Geriatrics Society. 2026;74(1):286-287. Thu, 01 Jan 2026 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/192265444 https://descubridor.academia.cl/EITRecord/192265444 Hetherington‐Rauth, Megan letter response tables/charts Journal Article 2026-01-01 Hetherington‐Rauth, Megan 0 Insights into plasma-catalytic degradation of diethyl phthalate over solvent-regulated BiOBr: Experiments and density functional theory. Thu, 01 Jan 2026 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/191425656 https://descubridor.academia.cl/EITRecord/191425656 Wang, Dongrui Article 2026-02-01 Wang, Dongrui 0 Psoas muscle index and psoas muscle density are associated with functional status in patients with degenerative lumbar spinal stenosis. Mon, 01 Jan 2024 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/178421108 https://descubridor.academia.cl/EITRecord/178421108 Hou, Xiaofei diagnostic images research tables/charts Journal Article 2024 Hou, Xiaofei 0 A Density Functional Theory Study on the Structures and Electronic Properties of XAl (X = Br, I; n = 3-15) Clusters. Tue, 01 Jan 2019 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/144332084 https://descubridor.academia.cl/EITRecord/144332084 Ming Hui Article 2019-02-01 Ming Hui 0 Application of density functional theory for evaluating the mechanical properties and structural stability of dental implant materials. Sun, 01 Jan 0012 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/173962580 https://descubridor.academia.cl/EITRecord/173962580 Saini, Ravinder Singh research tables/charts Journal Article 2023-12-01 Saini, Ravinder Singh 0 Magnetic flower-like Bi5O7I/CuFe2O4 photocatalyst for doxycycline degradation: Combined experimental, density functional theory and antibacterial study. Thu, 01 Jan 2026 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/190694900 https://descubridor.academia.cl/EITRecord/190694900 Xue, Shikai Article 2026-01-01 Xue, Shikai 0 Structural, Electronic and Nonlinear Optical Properties of Novel Derivatives of 9,12-Diiodo-1,2-dicarba-closo-dodecaborane: Density Functional Theory Approach. Mon, 01 Jan 2018 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/132851101 https://descubridor.academia.cl/EITRecord/132851101 Chaudhry, Aijaz Rasool Article 2018-11-01 Chaudhry, Aijaz Rasool 0 Tailoring of Bandgap to Tune the Optical Properties of GaAlY (Y = As, Sb) for Solar Cell Applications by Density Functional Theory Approach. Tue, 01 Jan 2019 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/140273274 https://descubridor.academia.cl/EITRecord/140273274 Mahmood, Q. Article 2019-12-01 Mahmood, Q. 0 Inhibition of DNA Topoisomerase Type IIα (TOP2A) by Mitoxantrone and Its Halogenated Derivatives: A Combined Density Functional and Molecular Docking Study. Mon, 01 Jan 0001 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/113630373 https://descubridor.academia.cl/EITRecord/113630373 Abu Saleh, Md. pictorial research tables/charts Journal Article 2016-01-27 Abu Saleh, Md. 0 Density-dependent functional thresholds and early-warning indicators of alpine meadow degradation under plateau pika (Ochotona curzoniae) and zokor (Myospalax baileyi) disturbance: A meta-analysis. Thu, 01 Jan 2026 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/193007444 https://descubridor.academia.cl/EITRecord/193007444 Li, Huan Article 2026-04-01 Li, Huan 0 Does plate-screw density affect the functional outcomes in the treatment of proximal humerus fractures? Sat, 01 Jan 2022 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/157200321 https://descubridor.academia.cl/EITRecord/157200321 Bayrak, Alkan diagnostic images pictorial research tables/charts Journal Article 2022-06-01 Bayrak, Alkan 0 Vitamin D Status, Bone Mineral Density, and Functional Exercise Capacity in Patients with Chronic Obstructive Pulmonary Disease. Sun, 01 Jan 2023 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/178263489 https://descubridor.academia.cl/EITRecord/178263489 Farukh, Umair research tables/charts Journal Article 2023 Farukh, Umair 0 Probing Interactions of N-Donor Molecules with Open Metal Sites within Paramagnetic Cr-MIL-101: A Solid-State NMR Spectroscopic and Density Functional Theory Study. Tue, 01 Jan 0002 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/128050495 https://descubridor.academia.cl/EITRecord/128050495 Wittmann, Thomas Article 2018-02-14 Wittmann, Thomas 0 Some electronical properties for Coronene-Y interactions by using density functional theory(DFT). Mon, 01 Jan 2018 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/145027767 https://descubridor.academia.cl/EITRecord/145027767 Jabbar, Mohammed L. Article 2018 Jabbar, Mohammed L. 0 Reaction Coordinate Leading to H Production in [FeFe]-Hydrogenase Identified by Nuclear Resonance Vibrational Spectroscopy and Density Functional Theory. Sat, 01 Jan 0011 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/126507548 https://descubridor.academia.cl/EITRecord/126507548 Pelmenschikov, Vladimir Article 2017-11-22 Pelmenschikov, Vladimir 0 Low-Density Lipoprotein Cholesterol, Structural Atherosclerosis, and Functional Atherosclerosis in Older Japanese. Sun, 01 Jan 2023 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/161184163 https://descubridor.academia.cl/EITRecord/161184163 Shimizu, Yuji research tables/charts Journal Article 2023-01-01 Shimizu, Yuji 0 Density Functional Study of the Electronic, Elastic and Optical Properties of BiOTe. Wed, 01 Jan 2020 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/140960041 https://descubridor.academia.cl/EITRecord/140960041 Chen, Jia-Xin Article 2020-01-01 Chen, Jia-Xin 0 Effect of Anchor Density on Functional Outcomes After Arthroscopic Hip Labral Repair. Sat, 01 Jan 2022 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/159438200 https://descubridor.academia.cl/EITRecord/159438200 Ernat, Justin J. research tables/charts Journal Article 2022-10-01 Ernat, Justin J. 0 Real-Time Time-Dependent Density Functional Theory for Simulating Nonequilibrium Electron Dynamics. Tue, 01 Jan 0002 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/175757508 https://descubridor.academia.cl/EITRecord/175757508 Xu, Jianhang Article 2024-02-28 Xu, Jianhang 0 Sulfur-functionalized sawdust biochar for enhanced cadmium adsorption and environmental remediation: A multidisciplinary approach and density functional theory insights. Wed, 01 Jan 2025 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/182156548 https://descubridor.academia.cl/EITRecord/182156548 Ahmed, M.M.M. Article 2025-01-01 Ahmed, M.M.M. 0 Can Contemporary Density Functional Theory Predict Energy Spans in Molecular Catalysis Accurately Enough To Be Applicable for in Silico Catalyst Design? A Computational/Experimental Case Study for the Ruthenium-Catalyzed Hydrogenation of Olefins. Mon, 01 Jan 0001 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/113302255 https://descubridor.academia.cl/EITRecord/113302255 Rohmann, Kai Article 2016-01-13 Rohmann, Kai 0 Exploring the Photovoltaic Properties of Metal Bipyridine Complexes (Metal = Fe, Zn, Cr, and Ru) by Density Functional Theory. Mon, 01 Jan 2018 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/128704391 https://descubridor.academia.cl/EITRecord/128704391 Irfan, Ahmad Article 2018-04-01 Irfan, Ahmad 0 Non-Covalent Functionalisation of C Fullerene by Pyrrole-n-Carboxylic Acid (n=2, 3): Density Functional Theory Studies. Mon, 01 Jan 2018 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/126895345 https://descubridor.academia.cl/EITRecord/126895345 Harismah, Kun Article 2018-01-01 Harismah, Kun 0 ELECTRON CORRELATION EFFECTS AND DIPOLAR/OCTUPOLAR CONTRIBUTION ON THE FIRST HYPERPOLARIZABILITY OF PUSH-PULL OLIGOMER SYSTEMS. Fri, 01 Jan 2021 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/154622326 https://descubridor.academia.cl/EITRecord/154622326 LABIDI, N. S. Article 2021 LABIDI, N. S. 0 Shared network-level functional alterations across substance use disorders: A multi-level kernel density meta-analysis of resting-state functional connectivity studies. Sat, 01 Jan 2022 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/157665329 https://descubridor.academia.cl/EITRecord/157665329 Taebi, Arezoo meta analysis research Journal Article 2022-03-01 Taebi, Arezoo 0 Sarcopenia and Its Association With Change of Bone Mineral Density and Functional Outcome in Old-Aged Hip Arthroplasty Patients. Sat, 01 Jan 0005 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/156916116 https://descubridor.academia.cl/EITRecord/156916116 Kweon, Suc-hyun research tables/charts Journal Article 2022-05-16 Kweon, Suc-hyun 0 Sarcopenia and Its Association With Change of Bone Mineral Density and Functional Outcome in Old-Aged Hip Arthroplasty Patients. Sat, 01 Jan 2022 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/162490613 https://descubridor.academia.cl/EITRecord/162490613 Suc-hyun Kweon research tables/charts Journal Article 2022 Suc-hyun Kweon 0 A Survey of Methodologies for Assessing Mast Cell Density and Activation in Patients with Functional Abdominal Pain Disorders. Fri, 01 Jan 2021 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/155547503 https://descubridor.academia.cl/EITRecord/155547503 Friesen, Hunter Journal Article 2021-12-01 Friesen, Hunter 0 Successful a Priori Modeling of CO Adsorption on Pt(111) Using Periodic Hybrid Density Functional Theory. Tue, 01 Jan 0008 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/26549189 https://descubridor.academia.cl/EITRecord/26549189 Yun Wang Article 2007-08-29 Yun Wang 0 Coupled Cluster and Density Functional Theory Studies of the Vibrational Contribution to the Optical Rotation of (S)-Propylene Oxide. Mon, 01 Jan 0001 00:35:00 -0442 https://descubridor.academia.cl/EITRecord/20217835 https://descubridor.academia.cl/EITRecord/20217835 Jacob Kongsted Article 2006-01-25 Jacob Kongsted 0 V induced oxygen vacancies boost NO–Hg0 dual removal: Mechanistic evidence and DFT verification on Mn–Co–V catalysts. Thu, 01 Jan 2026 00:35:00 -0300 https://descubridor.academia.cl/EITRecord/193007367 https://descubridor.academia.cl/EITRecord/193007367 Wang, Guangyao Article 2026-04-01 Wang, Guangyao 0