Searching and analyzing organic molecules, metal organic complexes and metal-organic extended structures and in Cambridge Structural Database I: Introduction
ROBERTO FERNANDEZ
(BCMATERIALS)
Searching and analyzing organic molecules, metal organic complexes and metal-organic extended structures and in Cambridge Structural Database I: Introduction
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
Call for papers – ‘Polymers’ Special Issue
BCMaterials researcher Dr. Carmen Rial has been selected, along with Prof. Dr. M. Mounir Bou-Ali from the University of Mondragon (Spain), as Guest Editor for the special issue of Polymers (ISSN 2073…Invited Talk with Joel Villatoro on April 25
On April 25, BCMaterials will receive Dr. Joel Villatoro as a new invited speaker with the talk entitled “"All-Optical Fiber Sensing". The talk will start at 10:00 at the Martina Casiano auditorium (…Eloie Gallego, New Research Technician Assistant
BCMaterials welcomes Eloie Gallego, who joins our center as new Research Technician Assistant. She will work giving service to a growing laboratory activity in our facilities. Eloie’s academical and…Jorge Saiz, New Ramón y Cajal Researcher at BCMaterials
We are happy to receive Jorge Saiz Galindo as new Ramón y Cajal Fellow, post-doctoral researcher in BCMaterials. Dr. Saiz obtained his degree in Biology and his PhD at the University of Alcalá, in…