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Publications list for Emeritus Professor Noel Hush

2011 | 2010 | 2009 | 2008 | 2007

2011

   
  • McKemmish, L., McKenzie, R., Hush, N., Reimers, J. (2011), Quantum entanglement between electronic and vibrational degrees of freedom in molecules. The Journal of Chemical Physics. 135(24), 244110. [Abstract]
  • Wang, Y., Chi, Q., Zhang, J., Hush, N., Reimers, J., Ulstrup, J. (2011), Chain-branching control of the atomic structure of alkanethiol-based gold-sulfur interfaces. Journal of the American Chemical Society. 133(38), 14856-14859. [Abstract]
  • Chin, Y., Panduwinata, D., Sintic, M., Sum, T., Hush, N., Crossley, M., Reimers, J. (2011), Atomic-Resolution Kinked Structure of an Alkylporphyrin on Highly Ordered Pyrolytic Graphite. Journal of Physical Chemistry Letters. 2(2), 62-66.
  • Wohlthat, S., Solomon, G., Hush, N., Reimers, J. (2011), Interference-induced electron- and hole-conduction asymmetry. Theoretical Chemistry Accounts. 130(4-6), 815-828.
  • Wang, Y., Chi, Q., Hush, N., Reimers, J., Zhang, J., Ulstrup, J. (2011), Gold Mining by Alkanethiol Radicals: Vacancies and Pits in the Self-Assembled Monolayers of 1-Propanethiol and 1-Butanethiol on Au(111). The Journal of Physical Chemistry. 115(21), 10630-10639.

2010

   
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  • Wohlthat, S., Reimers, J., Hush, N. (2010), Accurate and computationally efficient third-nearest-neighbor tight-binding model for large graphene fragments. Physical Review B (Condensed Matter and Materials Physics). 81(19), 195125-1-195125-8.

2009

   
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  • McKemmish, L., Reimers, J., McKenzie, R., Mark, A., Hush, N. (2009), Penrose-Hameroff orchestrated objective-reduction proposal for human consciousness is not biologically feasible. Physical review. E, Statistical, nonlinear, and soft matter physics. 80(2 Pt 1), 021912. [Abstract]
  • Reimers, J., McKemmish, L., McKenzie, R., Mark, A., Hush, N. (2009), Weak, strong, and coherent regimes of Fröhlich condensation and their applications to terahertz medicine and quantum consciousness. Proc Natl Acad Sci U S A. 106(11), 4219-4224. [Abstract]
  • Wang, Y., Chi, Q., Hush, N., Reimers, J., Zhang, J., Ulstrup, J. (2009), Scanning Tunneling Microscopic Observation of Adatom-Mediated Motifs on Gold-Thiol Self-Assembled Monolayers at High Coverage. Journal of Physical Chemistry C. 113(45), 19601-19608. [Abstract]

2008

   
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  • Reimers, J., Wallace, B., Hush, N. (2008), Towards a comprehensive model for the electronic and vibrational structure of the Creutz-Taube ion. Philosophical transactions. Series A, Mathematical, physical, and engineering sciences. 366(0), 15-31. [Abstract]
  • Day, P., Hush, N., Clark, R. (2008), Mixed valence: origins and developments. Philosophical transactions. Series A, Mathematical, physical, and engineering sciences. 366(1862), 5-14. [Abstract]

2007

   
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  • Wang, Y., Hush, N., Reimers, J. (2007), Formation of Gold-Methanethiyl Self-Assembled Monolayers. Journal of the American Chemical Society. 129(47), 14532-3. [Abstract]
  • Wang, Y., Gironcoli, S., Hush, N., Reimers, J. (2007), Successful a Priori Modeling of CO Adsorption on Pt(111) Using Periodic Hybrid Density Functional Theory. Journal of the American Chemical Society. 129(0), 10402-7. [Abstract]
  • Yin, S., Dahlbom, M., Canfield, P., Hush, N., Kobayashi, R., Reimers, J. (2007), Assignment of the Q(y)() Absorption Spectrum of Photosystem-I from Thermosynechococcus elongatus Based on CAM-B3LYP Calculations at the PW91-Optimized Protein Structure. The journal of physical chemistry. B. 111(0), 9923-30. [Abstract]
  • Reimers, J., Solomon, G., Gagliardi, A., Bilić, A., Hush, N., Frauenheim, T., Di Carlo, A., Pecchia, A. (2007), The Green's function density functional tight-binding (gDFTB) method for molecular electronic conduction. The journal of physical chemistry. A. 111(26), 5692-5702. [Abstract]
  • Di Carlo, A., Hush, N., Reimers, J., Frauenheim, T., Pecchia, A., Gagliardi, A., Solomon, G. (2007), A priori method for propensity rules for inelastic electron tunneling spectroscopy of single-molecule conduction. PHYSICAL REVIEW B. 75(17), 174306. [Abstract]
  • Dahlbom, M., Hush, N., Freiberg, A., Leiger, K., Reimers, J. (2007), Pressure-induced spectral changes for the special-pair radical cation of the bacterial photosynthetic reaction center. JOURNAL OF CHEMICAL PHYSICS. 126(21), 215102. [Abstract]
  • Wang, Y., Hush, N., Reimers, J. (2007), Simulation of the Au(111)-(22 x root 3) surface reconstruction. PHYSICAL REVIEW B. 75(23), 233416. [Abstract]
  • Ren, W., Reimers, J., Hush, N., Zhu, Y., Wang, J., Guo, H. (2007), Models for the structure and electronic transmission of carbon nanotubes covalently linked by a molecular bridge via amide couplings. JOURNAL OF PHYSICAL CHEMISTRY C. 111(9), 3700-3704. [Abstract]
  • Wang, Y., Hush, N., Reimers, J. (2007), Understanding the chemisorption of 2-methyl-2-propanethiol on au(111). JOURNAL OF PHYSICAL CHEMISTRY C. 111(29), 10878-10885. [Abstract]
  • Belcher, W., Reimers, J., Hush, N., Crossley, M., Thordarson, P., Blake, I., Dastoor, P., Canipbell, W., Fell, C., Dean, B., Foster, C., Frohne, H., McNeill, C., Officer, D. (2007), Understanding and improving solid-state Polymer/C-60-fullerene bulk-heterojunction solar cells using ternary porphyrin blends. JOURNAL OF PHYSICAL CHEMISTRY C. 111(42), 15415-15426. [Abstract]