@article { ISI:000321436200020,
	title = {Density functional theory study of allopurinol},
	journal = {CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE},
	volume = {91},
	number = {7},
	year = {2013},
	month = {JUL},
	pages = {637-641},
	abstract = {Allopurinol vapour is studied with density functional theory. Using the best method from past experience for each property, we predict the equilibrium geometry, vibrational spectrum, dipole moment, average dipole polarizability, UV absorption spectrum, vertical ionization energies of valence electrons, and core-electron binding energies.},
	issn = {0008-4042},
	doi = {10.1139/cjc-2012-0538},
	author = {Chong, Delano P.}
}
