Publications

Desjarlais, M.P., Muller, R.P., & Muller, R.P. (2006). Optimized effective potential from a correlated wave function: OEP-GVB. Proposed for publication in the Journal of Chemical Physics.. https://doi.org/10.1063/1.2216701

Muller, R.P. (2005). An extended hybrid density functional (X3LYP) with improved descriptions of van der Waals and hydrogen bonded interactions plus electronic and thermodynamic properties of molecular systems. Proposed for publication in the Journal of Chemical Physics.. https://www.osti.gov/biblio/970742

Muller, R.P. (2005). Meccano on the nanoscale : a blueprint for making some of the worlds tiniest machines. Proposed for publication in the Australian Journal of Chemistry.. https://www.osti.gov/biblio/971806

Muller, R.P. (2005). Hydrogen storage in LiAlH4 : predictions of the crystal structures and reaction mechanisms of intermediate phases from quantum mechanics. Proposed for publication in the Journal of Chemical Physics.. https://www.osti.gov/biblio/970741

Muller, R.P. (2005). Mechanism of the Stoddart-Heath bistable rotaxane molecular switch. Proposed for publication in the Journal of the American Chemical Society.. https://www.osti.gov/biblio/970712

Muller, R.P. (2005). Mechanism of homogeneous Ir(III) catalyzed regioselective arylation of olefins. Proposed for publication in the Journal of the American Chemical Society.. https://www.osti.gov/biblio/970710

Muller, R.P. (2005). Chemisorption of atomic oxygen on Pt(111) from DFT studies of Pt-clusters. Jounal of Physical Chemistry B, 109(1). https://doi.org/10.1021/jp0463868

Muller, R.P. (2005). Survey of eigenproblem treatment in chemistry and density functional theory [Conference]. https://www.osti.gov/biblio/944765

Muller, R.P. (2004). Survey of eigenproblem treatment in quantum chemistry and density functional theory [Conference]. https://www.osti.gov/biblio/947346

Muller, R.P. (2004). VIMES : a graphical interface for multiscale modeling [Conference]. https://www.osti.gov/biblio/947351

Muller, R.P., Ingersoll, D., & Ingersoll, D. (2004). Computational studies of face-to-face porphyrin catalyzed reduction of dioxygen [Conference]. https://www.osti.gov/biblio/947348

Muller, R.P. (2004). Evidence for o-atom exchange in the O(1D) + N2O reaction as the source of mass-independent isotopic fractionation in atmospheric N2O. Proposed for publication in Geophysical Research Letters., 31(19). https://www.osti.gov/biblio/961637

Muller, R.P. (2004). The synthesis of symmetrical bis-1,2,5-thiadiazole ligands. Proposed for publication in Tetrahedron Letters.. https://www.osti.gov/biblio/972432

Muller, R.P. (2003). Quantum mechanical--rapid prototyping applied to methane activation. Proposed for publication in Topics in Catalysis.. https://www.osti.gov/biblio/972431