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Density functional theory study of the adsorption of oxygen molecule on iron phthalocyanine and cobalt phthalocyanineWang, Guofeng; Ramesh, Nitia; Hsu, Andrew; Chu, Deryn; Chen, Rongrong · Molecular Simulation · 2008
A First-Principles Study of Oxygenates on Co Surfaces in Fischer−Tropsch SynthesisCheng, Jun; Hu, P.; Ellis, Peter; French, Sam; Kelly, Gordon; Lok, C. Martin · The Journal of Physical Chemistry C · 2008
An Energy Descriptor To Quantify Methane Selectivity in Fischer−Tropsch Synthesis: A Density Functional Theory StudyCheng, Jun; Hu, P.; Ellis, Peter; French, Sam; Kelly, Gordon; Lok, C. Martin · The Journal of Physical Chemistry C · 2009
Chlorine Adsorption on Graphene: ChlorographeneŞahin, H.; Ciraci, S. · The Journal of Physical Chemistry C · 2012
Graphene−Metal Particle NanocompositesXu, Chao; Wang, Xin; Zhu, Junwu · The Journal of Physical Chemistry C · 2008
Sarin Degradation Using BruciteVaiss, Viviane S.; Borges, Itamar; Leitão, Alexandre A. · The Journal of Physical Chemistry C · 2011
Photofunctional Hybrid Nanocarbon MaterialsUmeyama, Tomokazu; Imahori, Hiroshi · The Journal of Physical Chemistry C · 2013
Plasmons in MoleculesBernadotte, Stephan; Evers, Ferdinand; Jacob, Christoph R. · The Journal of Physical Chemistry C · 2013
) SubstrateXiao, Jianping; Frauenheim, Thomas · The Journal of Physical Chemistry C · 2013
Amorphization in NanoparticlesPiot, Lucas; Le Floch, Sylvie; Cornier, Thibaut; Daniele, Stéphane; Machon, Denis · The Journal of Physical Chemistry C · 2013
Why Propane?Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej · The Journal of Physical Chemistry C · 2013