EXPO2013: a kit of tools for phasing crystal structures from powder data
A Altomare, C Cuocci, C Giacovazzo… - Journal of Applied …, 2013 - journals.iucr.org
EXPO2013, the heir of EXPO2009, has been enriched by a variety of new algorithms and
graphical tools aiming at strengthening the individual steps of the powder structure solution …
graphical tools aiming at strengthening the individual steps of the powder structure solution …
SIR2011: a new package for crystal structure determination and refinement
MC Burla, R Caliandro, M Camalli… - Journal of Applied …, 2012 - journals.iucr.org
SIR2011, the successor of SIR2004, is the latest program of the SIR suite. It can solve ab
initio crystal structures of small-and medium-size molecules, as well as protein structures …
initio crystal structures of small-and medium-size molecules, as well as protein structures …
EXPO2009: structure solution by powder data in direct and reciprocal space
A Altomare, M Camalli, C Cuocci… - Journal of Applied …, 2009 - journals.iucr.org
The program EXPO2009 is the evolution of EXPO2004 [Altomare, Caliandro, Camalli,
Cuocci, Giacovazzo, Moliterni & Rizzi (2004). J. Appl. Cryst. 37, 1025–1028]. EXPO2009 …
Cuocci, Giacovazzo, Moliterni & Rizzi (2004). J. Appl. Cryst. 37, 1025–1028]. EXPO2009 …
EXPO software for solving crystal structures by powder diffraction data: methods and application
Innovative methodologies, introduced in the software EXPO and working both in the
reciprocal and in the direct space, can be successfully adopted for solving crystal structure …
reciprocal and in the direct space, can be successfully adopted for solving crystal structure …
Phasing in crystallography: a modern perspective
C Giacovazzo - Rendiconti Lincei, 2013 - Springer
Phasing by crystallographic methods dramatically contributed to the development of the
modern Sciences. As effect of their application, hundreds of thousands structures have been …
modern Sciences. As effect of their application, hundreds of thousands structures have been …
Synthesis and characterization of metastable β-Ag 2 WO 4: an experimental and theoretical approach
PS Lemos, A Altomare, AF Gouveia, IC Nogueira… - Dalton …, 2016 - pubs.rsc.org
Metastable silver tungstate (β-Ag2WO4) has attracted much attention lately because of its
many potential applications. However, the synthesis of metastable phases of inorganic …
many potential applications. However, the synthesis of metastable phases of inorganic …
Diarylheterocycle core ring features effect in selective COX‐1 inhibition
MG Perrone, P Vitale, P Malerba, A Altomare… - …, 2012 - Wiley Online Library
The COX‐1 isoenzyme plays a significant role in a variety of diseases, as it catalyzes the
bioprocesses behind many health problems. Among the diarylheterocycle class of COX …
bioprocesses behind many health problems. Among the diarylheterocycle class of COX …
The Rietveld refinement in the EXPO software: A powerful tool at the end of the elaborate crystal structure solution pathway
The Rietveld method is the most reliable and powerful tool for refining crystal structure when
powder diffraction data are available. It requires that the structure model to be adjusted is as …
powder diffraction data are available. It requires that the structure model to be adjusted is as …
COVMAP: a new algorithm for structure model optimization in the EXPO package
A Altomare, C Cuocci, C Giacovazzo… - Journal of Applied …, 2012 - journals.iucr.org
A new procedure (COVMAP) has been developed with the aim of recovering the full
structure from very poor models, such as those provided by direct methods in unfavorable …
structure from very poor models, such as those provided by direct methods in unfavorable …
Methods of crystallography: powder X-ray diffraction
In the last twenty-five years, relevant theoretical, methodological and experimental advances
have been made in the development and application of the X-ray powder diffraction (XRPD) …
have been made in the development and application of the X-ray powder diffraction (XRPD) …