Chemical Communications · 2013 · 42 citations · 20 references
Natural SciencesChemistryMedicinal ChemistryDrug DiscoverySolid-state ChemistrySupramolecular ChemistryCrystal ChemistryLigand BindingMacromolecular StructureMolecular SymmetrySelf-assemblySupramolecular RecognitionCocrystal FormationMolecular Conformation ControlSupramolecular Coordination ChemistrySupramolecular Self-assemblyTautomerism In Heterocycles
We have isolated the stable as well as the metastable tautomers of 1-deazapurine in the solid state by exploiting principles of supramolecular selectivity in the context of cocrystal design.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17