Publications

Recent Sample Publications supported by CCR-CIS Resources

  1. "Adsorbate-Induced Changes in the Surface Composition of Bimetallic Clusters: Pt-Au on TiO2 (110)," S. A. Tenney, J. S. Ratliff, C. C. Roberts, W. He, S. C. Ammal, A. Heyden, D. A. Chen, J. Phys. Chem. C 114, 21652-21663 (2010).

  2. "Modeling the noble metal/TiO2 (110) interface with hydrid DFT functionals: A periodic electrostatic embedded cluster model study," S. C. Ammal, A. Heyden, J. Chem. Phys. 133, 164703 (2010)

  3. Rassolov VA 2011 "Harmonic electron correlation operator" JOURNAL OF CHEMICAL PHYSICS 135(3): 0341112.

  4. Liang L, Rassolov VA. 2010 "Fermi Contact Spin Density Calculations of Aromatic Radicals". JOURNAL OF PHYSICAL CHEMISTRY C 114(48): 20648-20658.

  5. "Direct Imaging of the MoVTeNbO M1 Phase using a Cs-corrected High-Resolution Scanning Transmission Electron Microscope (STEM)." William D. Pyrz, Douglas A. Blom. T. Vogt, D.J. Buttrey, Angewandte Chemie Int. Ed., 47, 2788-2791 (2008)

  6. S. Garashchuk, J. Mazzuca, and T. Vazhappilly. Efficient quantum trajectory representation of wavefunctions evolving in imaginary time. J. Chem. Phys. 135, 034104 (2011)

  7. S. Garashchuk. Calculation of reaction rate constants using approximate evolution of quantum trajectories in imaginary and real time. Chem. Phys. Lett. 491, 96-101 (2010).

  8. V. A. Slipko and Y. V. Pershin, Spin relaxation in Rashba rings, Europhysics Letters 95, 37004 (2011)

  9. J. Martinez-Rincon and Y. V. Pershin, Bistable non-volatile elastic membrane memcapacitor exhibiting chaotic behavior, IEEE Transactions on Electron Devices 58, 1809 (2011)

  10. N. Sergueev, A.A. Demkov, and H. Guo, "Probing molecular vibrations with inelastic resonant tunneling", Phys. Rev. B. 75, 233418 (2007)

  11. N. Sergueev and A.A. Demkov, "Resonant inelastic charge transfer in short alanine bridges", Phys. Rev. B 81, 045112 (2010).

  12. Xialan Dong, Jerry O Ebalunode, Sung Jin Cho, Weifan Zheng (2010) A novel structure-based multimode QSAR method affords predictive models for phosphodiesterase inhibitors. J Chem Inf Model 50: 2. 240-250 Feb 2010.