crystal-structure

Documents about crystal-structure

• Crystal structure refinement with<i>SHELXL</i>#6286OpenAlex
• <i>SHELXT</i>– Integrated space-group and crystal-structure determination#6326OpenAlex
• On the preparation and crystal structure of a new form of PtGa2#168760Digital Commons @ Michigan Tech
• Molecular Packing of Phenoxazine: A Combined Single-Crystal/Crystal Structure Prediction Study#1283927HAL (France)
• Crystal structure of N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene) hydrazinecarbothioamide#823974Repositório Institucional da Universidade Federal de Sergipe
• Crystal structures of apatite-like compounds obtained by DFT calculations#641188DataverseUA Dataverse OAI Archive
• Zwitterionic or Not? Fast and Reliable Structure Determination by Combining Crystal Structure Prediction and Solid-State NMR#235422IRIS
• Crystal Structure of Bovine Antithrombin III#424894HAL (France)
• Enantioselective crystal growth induced by mesoscopic helical platforms#1312823HAL (France)
• Crystal structure and magnetic properties of new intermetallic compounds R2MoSi2C (R = Y, Gd-Tm, Lu)#268630HAL (France)
• The seventh blind test of crystal structure prediction: Structure generation methods#388315ISTA Publications
• Crystal structure and Hirshfeld surface analysis of 2,5-dimethyl-1 H -benzo[ d ]imidazole#1251287HAL (France)
• XPS experiment dataset for crystal Tl3PbBr5#471603DataverseUA Dataverse OAI Archive
• Bazı azlakton türevlerinin biçimlenimsel ve kristalografik incelemeleri#1038311DSpace at Dokuz Eylul University
• High-Pressure Crystal Structure Database#1084209arXiv (OAI Expanded)
• Crystal Structure of Imaginal Disc Growth Factor-2#1120251HAL (France)
• Crystal structure of (2E)-3-[4-(dimethylamino)-phenyl]-1-(thiophen-2-yl)prop-2-en-1-one#928260Repositório Institucional da Universidade Federal de Sergipe
• Li4Ba[BN2]2 – Structure and vibrational spectra#954955Koc University Digital Collections
• Replication Data for: Crystal structure of Au-pseudocarbyne(C6)#479962ASU Library Research Data Repository Dataverse OAI Archive
• Crystal structure of 1-nitro-4-(trimethylsilylethynyl) naphthalene#646141Open Research
• Crystal structure of the FAD-containing fragment of corn nitrate reductase at 2.5å resolution: relationship to other flavoprotein reductases#407963Digital Commons @ Michigan Tech
• A new zero-dimensional (0D) hybrid bismuth (III) halide: Synthesis, crystal structure, thermal analysis, photophysical properties and DFT calculations#948408Repositorio de Universidad Autónoma de Chile.
• Thermodynamic stability and electronic structure of thorium boron carbides#1434504HAL (France)
• Siamese Foundation Models for Crystal Structure Prediction#141712arXiv (OAI)
• CrystalX: High-accuracy Crystal Structure Analysis Using Deep Learning#163059arXiv (OAI)
• Advances in Advanced Materials Physics: Structure, Properties, and Applications#384639HAL (France)
• Crystal structure of a closed ternary complex of a HNA Reverse Transcriptase in complex with a HNA/DNA duplex#418989PLOS
• Text-guided flow matching enables sample-efficient crystal structure generation#973393arXiv (All)
• The High Resolution Crystal Structure of Recombinant Crithidia fasciculata Tryparedoxin-I#983786HAL (France)
• CrystalReasoner: Reasoning and RL for Property-Conditioned Crystal Structure Generation#1387062arXiv (All)
• X‐ray crystal structures of the type IVb secretion system DotB ATPases#1492815HAL (France)
• Magnetic and crystal structure of the antiferromagnetic skyrmion candidate GdSb0.71Te1.22#11573HAL (France)
• Crystal structure of a cold-active arginase from Glaciozyma antarctica.#150164NCBI PubMed Central
• The effect of pressure in the crystal and magnetic structure of FeWO4#388090HAL (France)
• Fourier Neural Operators for Composition-Driven Crystal Structure Discovery#820902arXiv (All)
• Chemical-space completeness through iterative crystal-structure generation and model adaptation#1117277arXiv (All)
• Molecular Crystal Structure Prediction from Conditional Flow on the Unit Cells#1199467arXiv (All)
• Crystal structure of the MID-PIWI lobe of a eukaryotic Argonaute protein#1235431HAL (France)
• Crystal structure of jumping spider rhodopsin-1 as a light sensitive GPCR#1251074HAL (France)
• Emergence of Bernal-Fowler ice rules in crystal structure prediction via data-efficient machine learning force fields: the case of Ice VII#284682Materials Cloud Archive
• Crystal Structure, Thermal Expansion and Luminescence of Ca10.5−xNix(VO4)7#156183HAL (France)
• Crystal structure of the multidrug exporter MexB from Pseudomonas aeruginosa#402021DataCite
• X2SBench: an open benchmark for evaluating crystal structure determination from powder diffraction#1077678arXiv (All)
• Crystal structure, Hirshfeld surface analysis of 2-(eth­­oxy­carbon­yl)quinolinium tetra­chlorido(quinoline-2-carboxyl­ato-κ2N,O)stannate(IV) monohydrate#257466HAL (France)
• YK-4-250, A Synthetic Telmisartan-Tempol Conjugate: Crystal Structure of a Stabilized Free Radical Containing An Angiotensin AT₁ Receptor Inhibitor#1001621ODU Digital Commons
• Matbench Discovery - Model Predictions for Discovery#408485Figshare
• Synthesis, crystal structure, Hirshfeld surface analysis and halogen-involving interactions in a bromo/chloro-substituted Schiff base 1-(3-bromo-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)methanimine#1537699HAL (France)
• Tackling real-world crystal structure prediction from powder X-ray diffraction data.#455224NCBI PubMed Central
• Accelerating Discovery of Ternary Chiral Materials via Large-Scale Random Crystal Structure Prediction#927145arXiv (All)
• uFlowCSP: Crystal Structure Prediction using Mean flow generative models#996619arXiv (All)