Searching and analyzing organic molecules, metal organic complexes and metal-organic extended structures and in Cambridge Structural Database II: Specific analysis
ROBERTO FERNANDEZ
(BCMATERIALS)
Searching and analyzing organic molecules, metal organic complexes and metal-organic extended structures and in Cambridge Structural Database II: Specific analysis
Established in 1965, the CSD is the world’s repository for small-molecule organic and metal-organic crystal structures. Containing over 900,000 entries from x-ray and neutron diffraction analyses, this unique database of accurate 3D structures has become an essential resource to scientists around the world. BCMaterials has access to the on-line version of the database, including the structures searching tools. However, we can also access, through different research teams of the University of the Basque country, to the complete-desktop tools included in the package CSD-System applications (ConQuest, Mercury, Mogul, Isostar…). In this short course, we will explore three case studies related to the main research lines and goals within the BCMaterials: 1) Searching Structures: Metal Organic Frameworks, Lead Iodide Perovskites, Drugs – developing our own database. 2) Analyzing Atomic distances, angles, and conformation and other structural information within our database. 3) Inter-molecular interactions study: Analyzing the weak forces shaping our materials.Related news
IMOH 2024 kongresua: arrakasta zientifikoa eta parte-hartzearen aldetik
Urriaren 15etik 17ra, BCMaterialsen egoitzan "IMOH 2024, 2nd International Meeting on Challenges and Opportunities for HiCANS" kongresuaren bigarren edizioa egin zen, zientzia eta industria…Europako BIOntier proiektuaren hasierako bilera
Urriaren erdialdean, BIOntier (BreakIng FrOntiers in sustainable and circular biocomposites with high performance for multi-sector applications) proiektuaren hasierako bilera egin zen Heraclionen (…Azala berria Advanced Electronic Materials aldizkarian
“Printed Memristors: An Overview of Ink, Materials, Deposition Techniques, and Applications”, BCMaterials eta kolaboratzaileek egindako argitalpena Advanced Electronic Materials aldizkarian 10:…BCMaterials-ek ‘Materials for Society’ ekimena abian jarri du
Urrian BCMaterials-ek ‘Materials for Society’ ekimenaren lehen harria jarriko du. Zientzia-, kultura- eta gizarte-proiektu honen helburua da zientziak gizarteko alderdi oso desberdinetan duen…