RSC Advances · 2016 · 102 citations · 56 references
Natural SciencesChemistryMedicinal ChemistryComputational ChemistryStructure-activity RelationshipsTheoretical ChemistryChemical BondingCrystal ChemistryIntermolecular ForcesMolecular Orbital TheorySolvation ModelingSolvation TheoryCarbonyl Stretching FrequenciesChemical Structure-activity RelationshipsCocrystal FormationHydrogen Bonding ModelsPharmaceutical CocrystallizationVibrational AnalysisVibrational Mode AnalysisVibrational Spectroscopy Of Metal-ligand Bonds
Hydrogen bonding network present in monomer and dimer + 2OXA models of cocrystal.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
Density-functional theory of atoms and molecules
James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations
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Robert G. Parr, László von Szentpály, Shubin Liu · Journal of the American Chemical Society · 1999 · 7.3K citations