| 1 |
Critical role of anisotropy for the dimerization energies of two protein-protein recognition motifs: cis-N-methylacetamide versus a beta-sheet conformer of alanine dipeptide. A joint ab initio, density functional theory, and molecular mechanics investigation
Gresh N, Guo H, Salahub DR, Roques BP, Kafafi SA
Journal of the American Chemical Society, 121(34), 7885, 1999 |
| 2 |
A simple coupling scheme between Hartree-Fock and local spin-density functional theories
Kafafi SA, El-Gharkawy ERH
Journal of Physical Chemistry A, 102(18), 3202, 1998 |
| 3 |
Novel density functional methodology for the computation of accurate electronic and thermodynamic properties of molecular systems and improved long-range behavior
Kafafi SA
Journal of Physical Chemistry A, 102(50), 10404, 1998 |
| 4 |
Novel density functional methodology for the computation of accurate electronic and thermodynamic properties of molecular systems and improved long-range behavior (vol 102, pg 10411, 1998)
Kafafi SA
Journal of Physical Chemistry A, 102(50), 10442, 1998 |
