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Results: 3
Protonation of an H2O dimer by a zeolitic Bronsted acid site
Authors:
Zygmunt, SA Curtiss, LA Iton, LE
Citation:
Sa. Zygmunt et al., Protonation of an H2O dimer by a zeolitic Bronsted acid site, J PHYS CH B, 105(15), 2001, pp. 3034-3038
Ab initio and density functional study of the activation barrier for ethane cracking in cluster models of zeolite H-ZSM-5
Authors:
Zygmunt, SA Curtiss, LA Zapol, P Iton, LE
Citation:
Sa. Zygmunt et al., Ab initio and density functional study of the activation barrier for ethane cracking in cluster models of zeolite H-ZSM-5, J PHYS CH B, 104(9), 2000, pp. 1944-1949
Relativistic density functional investigation of Pu(H2O)(n)(3+) clusters
Authors:
Blaudeau, JP Zygmunt, SA Curtiss, LA Reed, DT Bursten, BE
Citation:
Jp. Blaudeau et al., Relativistic density functional investigation of Pu(H2O)(n)(3+) clusters, CHEM P LETT, 310(3-4), 1999, pp. 347-354
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