Density functional study of the monocationic allopurinol tautomers

Villegas-Ortega, R.; Costas, Marı́a Eugenia; Acevedo‐Chávez, Rodolfo

doi:10.1016/s0166-1280(00)00358-4

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Density functional study of the monocationic allopurinol tautomers

Cited by 5 publications

References 79 publications

Simulation of the solid state and the first and second hydration shell of the xanthine oxidase inhibitor allopurinol: Structures obtained using DFT and MP2 methods

Simulation of the solid state and the first and second hydration shell of the xanthine oxidase inhibitor allopurinol: Structures obtained using DFT and MP2 methods

Density functional theory study of the free and cobalt-coordinated allopurinol ligand

Recent Advances in Computing Heteroatom-Rich Five- and Six-Membered Ring Systems

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