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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Number of items at this level: 5.
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.
Jiao, Yalong, Ma, Fengxian, Gao, Guoping, Wang, Hongxia, Bell, John, Frauenheim, Thomas, et al. (2015) Graphene-covered perovskites: An effective strategy to enhance light absorption and resist moisture degradation. RSC Advances, 5(100), pp. 82346-82350.
Mackinnon, Ian D.R., Talbot, Peter C., & Alarco, Jose A. (2016) Refractory boron compounds for high performance: Theory and experiment. In Jagadish, Chennupati & Tan, Hoe (Eds.) ICONN 2016 - International Conference on Nanoscience and Nanotechnology, 7-11 February 2016, National Convention Centre, Canberra, ACT. (Unpublished)
Perenlei, Ganchimeg, Alarco, Jose A., Talbot, Peter C., & Martens, Wayde N. (2015) Electronic structure studies and photocatalytic properties of cubic Bi1.5ZnNb1.5O7. International Journal of Photoenergy, 2015, Article ID 575376.
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.