Items where Subject is "Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > THEORETICAL AND COMPUTATIONAL CHEMISTRY (030700) > Quantum Chemistry (030701)"
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Du, Aijun, Sanvito, Stefano, & Smith, Sean C. (2012) First-principles prediction of metal-free magnetism and intrinsic half-metallicity in graphitic carbon nitride. Physical Review Letters, 108(19), pp. 197207-1.
Rasmussen, Anthony J. & Smith, Sean C. (2004) A Lanczos-powered Implementation of the Faber polynomial quantum time propagator for reaction probabilities. Chemical Physics Letters, 387(4-6), pp. 277-282.