Which, if any, hydrates will crystallise? Predicting hydrate formation of two dihydroxybenzoic acids

Predicting stoichiometry and structure of solvates

(2010) Aurora J. Cruz-Cabeza et al.   CHEMICAL COMMUNICATIONS

Isomers, Conformers, and Cocrystal Stoichiometry: Insights from the Crystal Energy Landscapes of Caffeine with the Hydroxybenzoic Acids

(2010) Matthew Habgood et al.   CRYSTAL GROWTH & DESIGN

Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?

(2010) Doris E. Braun et al.   CRYSTAL GROWTH & DESIGN

Modelling organic crystal structures using distributed multipole and polarizability-based model intermolecular potentials

(2010) Sarah L. Price et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test

(2009) Graeme M. Day et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? 2. Crystal Structure Prediction

(2009) Panagiotis G. Karamertzanis et al.   Journal of Chemical Theory and Computation

Computed Crystal Energy Landscapes for Understanding and Predicting Organic Crystal Structures and Polymorphism

(2008) Sarah (Sally) L. Price   ACCOUNTS OF CHEMICAL RESEARCH

Towards Prediction of Stoichiometry in Crystalline Multicomponent Complexes

(2008) Aurora J. Cruz-Cabeza et al.   CHEMISTRY-A EUROPEAN JOURNAL

Molecular Polarization Effects on the Relative Energies of the Real and Putative Crystal Structures of Valine

(2008) Timothy G. Cooper et al.   Journal of Chemical Theory and Computation

Structure Calculation of an Elastic Hydrogel from Sonication of Rigid Small Molecule Components

(2007) Kirsty M. Anderson et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION