Concepedia

Crystal structure and DFT calculations of 3,4-seco-lup-20(29)-en-3-oic acid isolated from Wrightia tinctoria: Stacking of supramolecular dimers in the crystal lattice

Anindita Ghosh, Ananda Sarkar, Partha Mitra, Avijit Banerji, Julie Banerji, Suvra Mandal, Manosi Das

Journal of Molecular Structure · 2010 · 25 citations · 11 references

DOI

Concepts

References

11

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

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Antioxidant activity applying an improved ABTS radical cation decolorization assay

Roberta Re, Nicoletta Pellegrini, Anna R. Proteggente et al. · Free Radical Biology and Medicine · 1999 · 25.6K citations

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General definition of ring puckering coordinates

Dieter Cremer, J. A. Pople · Journal of the American Chemical Society · 1975 · 7.2K citations

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Reduced HOMO−LUMO Gap as an Index of Kinetic Stability for Polycyclic Aromatic Hydrocarbons

Jun‐ichi Aihara · The Journal of Physical Chemistry A · 1999 · 1.1K citations

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Scaling Factors for Obtaining Fundamental Vibrational Frequencies and Zero‐Point Energies from HF/6–31G* and MP2/6–31G* Harmonic Frequencies

John A. Pople, Anthony P. Scott, Ming Wah Wong et al. · Israel Journal of Chemistry · 1993 · 808 citations

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