All Stories

  1. Theoretical investigation of the effect of OH− ions on O2 adsorption on low-index Pt surfaces in alkaline solution

    Article • Applied Surface Science, October 2015, Elsevier

    Rui Li

  2. Theoretical investigation on coadsorption effect of O2 and H2O on Pt(111) surface

    Article • Computational Materials Science, May 2015, Elsevier

    Rui Li

  3. New insights into the oxygen dissociation and migration on Pt(111) surface from the Car–Parrinello molecular dynamics study

    Article • Chemical Physics Letters, November 2014, Elsevier

    Rui Li

  4. Insights into the adsorption of oxygen and water on low-index Pt surfaces by molecular dynamics simulations

    Article • New Journal of Chemistry, January 2014, Royal Society of Chemistry

    Rui Li

  5. Computer modeling on the tautomerization of sulbactam intermediate in SHV-1 β-lactamases: E166A mutant vs. wild type

    Article • Journal of Molecular Graphics and Modelling, March 2013, Elsevier

    Rui Li

  6. Why tazobactam and sulbactam have different intermediates population with SHV-1 β-lactamase: a molecular dynamics study

    Article • Journal of Molecular Modeling, March 2013, Springer Science + Business Media

    Rui Li

  7. Theoretical Investigation on Reaction of Sulbactam with Wild-Type SHV-1 β-Lactamase: Acylation, Tautomerization, and Deacylation

    Article • The Journal of Physical Chemistry B, August 2011, American Chemical Society (ACS)

    Rui Li

  8. Computational study on decarboxylation mechanism of β-lactamases inhibitors: Clavulanate vs. sulbactam

    Article • Chemical Physics Letters, April 2009, Elsevier

    Rui Li

  9. Computational Modeling Study on Formation of Acyclic Clavulanate Intermediates in Inhibition of Class A β-Lactamase: Water-Assisted Proton Transfer

    Article • The Journal of Physical Chemistry A, February 2009, American Chemical Society (ACS)

    Rui Li

  10. Theoretical Study of the Reaction from 6-Methylidene Penem to Seven-Membered Ring Intermediates

    Article • The Journal of Physical Chemistry A, May 2007, American Chemical Society (ACS)

    Rui Li