Journal of Molecular Structure · 1983 · 14 citations · 49 references
Natural SciencesMedicinal ChemistryComputational ChemistryComputational Medicinal ChemistryAb Initio MethodsAb Initio Structure PredictionChemical Space ExplorationHeterocyclic ChemistryLigand-based DesignMolecular Orbital TheoryAb Initio CalculationsAb Initio Molecular CalculationsAb Initio Structure SolutionHighest Occupied Molecular OrbitalMolecular Orbital Analysis
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