WinPSSP: a revamp of the computer program PSSP and its performance solving the crystal structures of small organic compounds and solids of biological and pharmaceutical interest

TTF-DDQ: Two “green” synthetic routes, crystal structure and band gap from FT-IR spectroscopy

(2016) Sahnun Mohamud et al.   SYNTHETIC METALS

Using Free Computational Resources To Illustrate the Drug Design Process in an Undergraduate Medicinal Chemistry Course

(2015) Ricardo P. Rodrigues et al.   JOURNAL OF CHEMICAL EDUCATION

Some further considerations in powder diffraction pattern indexing with the dichotomy method

(2014) Daniel Louër et al.   POWDER DIFFRACTION

The principles underlying the use of powder diffraction data in solving pharmaceutical crystal structures

(2013) Kenneth Shankland et al.   ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS

Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid

(2013) Benjamin D. Altheimer et al.   CRYSTAL GROWTH & DESIGN

The Black Polymorph of TTF-CA: TTF Polymorphism and Solvent Effects in Mechanochemical and Vapor Digestion Syntheses, FT-IR, Crystal Packing, and Electronic Structure

(2013) Saul H. Lapidus et al.   CRYSTAL GROWTH & DESIGN

EXPO2013: a kit of tools for phasing crystal structures from powder data

(2013) Angela Altomare et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

GSAS-II: the genesis of a modern open-source all purpose crystallography software package

(2013) Brian H. Toby et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Structural study of an unusually large molecular solid from powder diffraction: the sequential unravelling of hydrogen bonding and van der Waals interactions contributing to the Z′ = 2 crystal packing of amcinonide

(2012) Silvina Pagola et al.   CRYSTENGCOMM

WinGXandORTEP for Windows: an update

(2012) Louis J. Farrugia   JOURNAL OF APPLIED CRYSTALLOGRAPHY

A Comparison of Cocrystal Structure Solutions from Powder and Single Crystal Techniques

(2010) Saul H. Lapidus et al.   CRYSTAL GROWTH & DESIGN

PSSP, a computer program for the crystal structure solution of molecular materials from X-ray powder diffraction data

(2010) Silvina Pagola et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Herringbone array of hydrogen-bonded ribbons in 2-ethoxybenzamide from high-resolution X-ray powder diffraction

(2009) Silvina Pagola et al.   ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS

Structure validation in chemical crystallography

(2009) Anthony L. Spek   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Stereochemistry Determination by Powder X-Ray Diffraction Analysis and NMR Spectroscopy Residual Dipolar Couplings

(2009) Manuela E. García et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Third structure determination by powder diffractometry round robin (SDPDRR-3)

(2009) A. Le Bail et al.   POWDER DIFFRACTION

Molecular and crystalline structure of cycloheptanespiro-3′(4′H)-6′,7′,8′,9′-tetrahydrocyclohexa[b][1,4]thiazole-2′(5′H)-thione from powder synchrotron X-ray diffraction data

(2008) Edward E. Avila et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Poly[μ-2-aminopyrazine-κ2N1:N4-μ-cyanido-copper(I)]: a three-dimensional network from laboratory powder diffraction data

(2008) Silvina Pagola et al.   ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS

Fundamentals and applications of genetic algorithms for structure solution from powder X-ray diffraction data

(2008) Kenneth D.M. Harris   COMPUTATIONAL MATERIALS SCIENCE

ExtSym: a program to aid space-group determination from powder diffraction data

(2008) Anders J. Markvardsen et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY