X-Ray diffraction Single Crystal diffractometer by Oxford Diffraction Features and facility K geometry CCD detector Molibdenum X-ray tube Equipped with a cryostat for low temperature measurements down to 100K

 
 

Thermo Electron X-Ray diffraction Powder diffractometer Features and facility Flat sample theta-theta geometry Copper X-ray tube Special sample holder for RT to 1700 K measurements Powder Diffraction File (PDF) for phase recognition

16 node cluster of dual ATHLON 2.6 MHz processors by Aethia s.r.l. Available software for ab initio molecular and periodic calculations GAUSSIAN JAGUAR CRYSTAL MACROMODEL MATERIAL STUDIO

X-Ray and molecular graphic softwares

• SIR97, SIR2002, EXPO, SHELX, GSAS, FOX for structure solution and refinement
• MACROMODEL, MOLDRAW, RASMOL for  structure graphical analysis

• Cambridge Structural Database (CSD or CCDC) for organic and organometallic compounds
• Inorganic Crystal Structure Database (ICSD) for inorganic materials
• Protein DataBank (PDB) for macromoleculal crystals