Controlling molecular tautomerism through supramolecular selectivity

Towards ab initio screening of co-crystal formation through lattice energy calculations and crystal structure prediction of nicotinamide, isonicotinamide, picolinamide and paracetamol multi-component crystals

(2013) H. C. Stephen Chan et al.   CRYSTENGCOMM

Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites

(2012) Maya Tutughamiarso et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

The Thermodynamically Stable Form of Solid Barbituric Acid: The Enol Tautomer

(2011) Martin U. Schmidt et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Polymorphism and Desmotropy in Heterocyclic Crystal Structures

(2011) José Elguero   CRYSTAL GROWTH & DESIGN

Elementary Dr. Watson

(2011) José Elguero   STRUCTURAL CHEMISTRY

Predicting stoichiometry and structure of solvates

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

The Richest Collection of Tautomeric Polymorphs: The Case of 2-Thiobarbituric Acid

(2010) Michele R. Chierotti et al.   CHEMISTRY-A EUROPEAN JOURNAL

Identification, classification and relative stability of tautomers in the cambridge structural database

(2010) Aurora J. Cruz-Cabeza et al.   CRYSTENGCOMM

Annular tautomerism: experimental observations and quantum mechanics calculations

(2010) Aurora J. Cruz-Cabeza et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Let’s not forget tautomers

(2009) Yvonne Connolly Martin   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

XRD studies, vibrational spectra, and molecular structure of 1H-imidazo [4,5-b]pyridine based on DFT quantum chemical calculations

(2009) L. Dymińska et al.   JOURNAL OF RAMAN SPECTROSCOPY

Towards Prediction of Stoichiometry in Crystalline Multicomponent Complexes

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