Concepedia
Tetrahedron · 2018 · 11 citations · 23 references
PharmacyMedicinal ChemistryPharmacologyDrug DiscoveryMycologyAlkaloid BiosynthesisAromatic PlantsStructure-activity Relationship AnalysisAlkaloid ProfilesBiosynthetic Intermediates In Alkaloid PathwaysMedicinal Aromatic PlantsPlant AlkaloidsPyrrolizidine Alkaloids
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Density-functional exchange-energy approximation with correct asymptotic behavior
Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations
Natural Sciences, Chemistry, Physics +17
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
Florian Weigend, Reinhart Ahlrichs · Physical Chemistry Chemical Physics · 2005 · 29.9K citations
Natural Sciences, Chemistry, Computational Chemistry +15
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
John P. Perdew · Physical review. B, Condensed matter · 1986 · 18.7K citations
Natural Sciences, Physics, Condensed Matter Physics +11
Fully optimized contracted Gaussian basis sets for atoms Li to Kr
Ansgar Schäfer, Hans W. Horn, Reinhart Ahlrichs · The Journal of Chemical Physics · 1992 · 9.6K citations
Natural Sciences, Chemistry, Physics +11
SpecDis: Quantifying the Comparison of Calculated and Experimental Electronic Circular Dichroism Spectra
Torsten Bruhn, Anu Schaumlöffel, Yasmin Hemberger et al. · Chirality · 2013 · 1.4K citations
Natural Sciences, Chemistry, Physics +15