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
• 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)
• 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
• XPS experiment dataset for crystal Tl3PbBr5#471603DataverseUA Dataverse OAI Archive
• Bazı azlakton türevlerinin biçimlenimsel ve kristalografik incelemeleri#1038311DSpace at Dokuz Eylul University
• 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.
• 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)
• 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)
• 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
• 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
• 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)
• Bis(heteroleptic) ruthenium(II) complexes with di-2-pyridylamine and methyl picolinate or 2-picolinato: Synthesis, crystal structure, DFT/time-dependent DFT calculations, and cytotoxicity#262546Kyoto University Research Information Repository
• Bis(heteroleptic) ruthenium(II) complexes with di-2-pyridylamine and methyl picolinate or 2-picolinato: Synthesis, crystal structure, DFT/time-dependent DFT calculations, and cytotoxicity#262553Kyoto University Research Information Repository
• PNcsp+: A Periodic Number-Based Crystal Structure Prediction Method Enhanced by Machine Learning.#25637NCBI PubMed Central
• 2-Isopropyl-4,7-dimethyl-1-nitronaphthalene#159329HAL (France)
• The crystal structure of caspase-6, a selective effector of axonal degeneration#402064DataCite
• Crystal structure of a heterodimeric ABC transporter in its inward-facing conformation#405374DataCite
• Synthesis and crystal structure of NaRbB(5)O(8)(OH)·H(2)O.#437172NCBI PubMed Central
• Polyhedral Structures, Symmetry, and Applications#486504Directory of Open Access Books
• Crystal-structure design by agentic AI in a language of motifs#616527arXiv (OAI Expanded)
• Crystal-structure design by agentic AI in a language of motifs#617027arXiv (All)
• Interplay between crystal structure and magnetism in CeCrB$_4$#783398arXiv (OAI Expanded)
• Interplay between crystal structure and magnetism in CeCrB$_4$#784988arXiv (All)
• CrystalGRPO: Target-Aligned and Coverage-Preserving Reinforcement Learning for Flow-Based Crystal Structure Prediction#797620arXiv (OAI Expanded)
• CrystalGRPO: Target-Aligned and Coverage-Preserving Reinforcement Learning for Flow-Based Crystal Structure Prediction#799035arXiv (All)