crystal-structure

Documents about crystal-structure

• Magnetic structure and crystal-field states of antiferromagnetic CeNiGe 3 : Neutron scattering and μ SR investigations#8882HAL (France)
• Supplementary Information of#314655Figshare
• Synthesis, crystal structure of the ammonium vanadyl oxalatophosphite and its controlled conversion into catalytic vanadyl phosphates#374492HAL (France)
• Refinement of the crystal structure of tris(perfluorophenyl)arsine, C 18F15As, at 173 K#645101ScholarBank@NUS
• CrystalMO-TuRBO: Multi-Objective Trust-Region Bayesian Optimization for High-precision Joint Crystal Structure Refinement#1034402arXiv (All)
• Matbench Discovery - Model Predictions for Phonons#294288Figshare
• Matbench Discovery - Model Predictions for Geometry Optimization#408484Figshare
• Structure et croissance cristalline du chrysotile et des serpentines polygonales#315126HAL (France)
• Operando microimaging of crystal structure and orientation in all components of all-solid-state-batteries#684953HAL (France)
• CrystalMO-TuRBO: Multi-Objective Trust-Region Bayesian Optimization for High-precision Joint Crystal Structure Refinement#978428arXiv CS
• Benchmarking Universal Machine Learning Force Fields for Crystal Structure Prediction of High-Energy Molecular Systems#984396arXiv (All)
• SSCHA-based evolutionary crystal structure prediction at finite temperatures with account for quantum nuclear motion#987543arXiv (All)
• A new example of intramolecular C—H...Ni anagostic interactions: synthesis, crystal structure and Hirshfeld analysis of cis-bis[4-methyl-2- (1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-j2 N1 ,S]nickel(II) dimethylformamide monosolvate#1001968Repositório Institucional da Universidade Federal de Sergipe
• Comprehensive analysis of crystal structure, thermal stability, optical and dielectric properties of the hybrid compound (C6H11N3O2)(H2PO4)2#398697HAL (France)
• Raw X-ray diffraction data: Crystal structure of Rhizobium etli L-asparaginase ReAV C135A mutant (8RUA)#454710MX-RDR Dataverse OAI Archive
• Autonomous discovery of new structure-plausibility laws for explainable and rapid crystal diagnosis and screening#821170arXiv (All)
• Crystal structure and functional characterization of an Asp49 phospholipase A(2) from the bushmaster (Lachesis muta).#150167NCBI PubMed Central
• Biagioniite, Tl 2 SbS 2 , from the Hemlo gold deposit, Marathon, Ontario, Canada: occurrence and crystal structure#239019HAL (France)
• TEM and SAED study of island-like CoFe thin films#325364DataverseUA Dataverse OAI Archive
• Synthesis, crystal structure, and in vitro evaluation of newer 2,4-thiazolidinedione hybrids as α-glucosidase inhibitors.#615909NCBI PubMed Central
• single crystal X-ray structure data files from the dissertation "Synthesis and characterization of new thiophosphates with chromium and vanadium"#640175bonndata Dataverse OAI Archive
• Experimental and Computational Study of Heat Transfer and Flow Structure of Slotted Impinging Jet#940377Journal of Thermal Engineering
• Characterization of the conformational state and flexibility of HIV-1 glycoprotein gp120 core domain#954416Koc University Digital Collections
• A fast GGAG:Ce(Mg) single crystal scintillator: LDFZM growth, characterization and electronic band structure calculation#206712RepOD Dataverse OAI Archive
• Score-based diffusion models for accurate crystal-structure inpainting and reconstruction of hydrogen positions#284683Materials Cloud Archive
• The crystal structure of human pyrin b30.2 domain: implications for mutations associated with familial Mediterranean fever#402050DataCite
• In silico identification and crystal structure validation of caspase-3 inhibitors without a P1 aspartic acid moiety#402165DataCite
• Si- and C-Induced Modifications in Vapor-Solid-Grown InGaAs Nanowires: From Crystal Structure to Carrier Dynamics#1013929arXiv (All)
• Deep Generative Crystal Structure Prediction: A Benchmark Study and a Controlled Test of Prototype Dependence#1043101arXiv CS
• Raw Diffraction data for the crystal structure of Rhizobium etli L-asparaginase ReAV K138A mutant in complex with L-Asn/L-Asp (9SDK)#452388MX-RDR Dataverse OAI Archive
• TEM and SAED study of discontinuous metal-insulator multilayer systems Fe-SiO2#641197DataverseUA Dataverse OAI Archive
• Morphology and crystal structure control of alpha-Fe2O3 films by hydrothermal-electrochemical deposition in the presence of Ce3+ and/or acetate, F- ions#934989Koc University Digital Collections
• Magnetism and Faraday rotation in oxygen-deficient polycrystalline and single-crystal iron-substituted strontium titanate#955051Koc University Digital Collections
• Crystal structure and luminescence of Cr3+-doped A2(WO4)3 (A=Al3+, Sc3+)#206677RepOD Dataverse OAI Archive
• Photoisomerisable zero-field Co(II) single-ion magnets with azo-functionalized sulfonamide ligands: synthesis, crystal structure, magnetism and light-induced switching#676919HAL (France)
• Counterintuitive Consequence of Heating in Strongly-Driven Intrinsic Junctions of Bi2 Sr2 Cacu2 O 8+? Mesas#1027396İzmir Yüksek Teknoloji Enstitüsü
• Analysis of Electronic Parameters and Interface States of Boron Dispersed Triethanolamine/P-si Structure by Afm, I-V, C-V and G/?-v-f Techniques#1027241İzmir Yüksek Teknoloji Enstitüsü
• Effect of nitrogen vacancies on the growth, dislocation structure, and decomposition of single crystal epitaxial (Ti1-xAlx)Ny thin films#280469HAL (France)
• A Dual-Mode Crystal Structure Prediction Framework for Fixed Element Sets and Fixed Structural Prototypes#620233Figshare
• Synthesis and structure of (RS)-6-hy­dr­oxy-6-(2-oxoprop­yl)-1,10-phenanthrolin-5(6H)-one#330203HAL (France)
• Resolution of Physics and Deep Learning-based Protein Engineering Filters: A Case Study with a Lipase for Industrial Substrate Hydrolysis#390814BYU ScholarsArchive
• Structure based discovery of small molecules to regulate the activity of human insulin degrading enzyme#954569Koc University Digital Collections
• opXRD: Open Experimental Powder X-Ray Diffraction Database#8050HAL (France)
• Switchable Behavior and Applications of Low‐Dimensional Halide Perovskites under External Environmental Stimuli#147397HAL (France)
• Data for "The new role of BiOCl photocatalyst in piezophotocatalysis mimicking natural conditions: The role of crystal structure in the piezoelectric effect"#289238RepOD Dataverse OAI Archive
• Unveiling the Role of Solvents in DBTTF:HATCN Ternary Cocrystals#294209edoc-Server
• YK-4-250, a synthetic telmisartan-tempol conjugate: crystal structure of a stabilized free radical containing an angiotensin AT(1) receptor inhibitor.#659710NCBI PubMed Central
• β-Keto-enol Tethered Pyridine and Thiophene: Synthesis, Crystal Structure Determination and Its Organic Immobilization on Silica for Efficient Solid-Liquid Extraction of Heavy Metals#330117HAL (France)
• Crystal structure and function of a DARPin neutralizing inhibitor of lactococcal phage TP901-1: comparison of DARPin and camelid VHH binding mode#402054DataCite
• Complex Spin Structure in Co-Trimer-Chain Li₂Co₃Se₄O₁₂#289467Scholar Commons