Concepedia

Molecular structures and vibrational frequencies of xanthine and its methyl derivatives (caffeine and theobromine) by ab initio Hartree–Fock and density functional theory calculations

Fatih Ucun, Adnan Sağlam, Vesile Gūçlü

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2006 · 50 citations · 11 references

DOI

Concepts

References

11

Vibrational spectral investigation on xanthine and its derivatives—theophylline, caffeine and theobromine

S. Gunasekaran, G. Sankari, S. Ponnusamy · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2004 · 153 citations

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Pteridines as inhibitors of xanthine oxidase: structural requirements

Karl Oettl, Gilbert Reibnegger · Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology · 1999 · 77 citations

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<i>Ab initio</i> structure determination of the high-temperature phase of anhydrous caffeine by X-ray powder diffraction

Patrick Derollez, Natália T. Correia, Florence Danède et al. · Acta Crystallographica Section B Structural Science · 2005 · 57 citations

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FT-Raman spectroscopic investigation of a pseudopolymorphic transition in caffeine hydrate

Marcel de Matas, Howell G. M. Edwards, E.E. Lawson et al. · Journal of Molecular Structure · 1998 · 51 citations

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FT-Raman spectroscopic studies of guarana and some extracts

Howell G. M. Edwards, Dennis W. Farwell, Luiz Fernando Cappa de Oliveira et al. · Analytica Chimica Acta · 2004 · 48 citations

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