All Stories

  1. The interactions of phenylalanines in β-sheet-like structures from molecular orbital calculations using density functional theory (DFT), MP2, and CCSD(T) methods

    Article • The Journal of Chemical Physics, June 2013, American Institute of Physics

    Joseph Dannenberg

  2. Comparison of some dispersion-corrected and traditional functionals with CCSD(T) and MP2 ab initio methods: Dispersion, induction, and basis set superposition error

    Article • The Journal of Chemical Physics, October 2012, American Institute of Physics

    Joseph Dannenberg

  3. Comparison of some dispersion-corrected and traditional functionals as applied to peptides and conformations of cyclohexane derivatives

    Article • The Journal of Chemical Physics, July 2012, American Institute of Physics

    Joseph Dannenberg

  4. J-coupling constants for a trialanine peptide as a function of dihedral angles calculated by density functional theory over the full Ramachandran space

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Pedro Salvador Sedano, Joseph Dannenberg