Authors: Gregurick, SK Kafafi, SA

Citation: Sk. Gregurick et Sa. Kafafi, Computation of the electronic and spectroscopic properties of carbohydrates using novel density functional and vibrational self-consistent field methods, J CARB CHEM, 18(8), 1999, pp. 867-890

Authors: Kafafi, SA Krauss, M

Citation: Sa. Kafafi et M. Krauss, Ab initio determination of the structure of the active site of a metalloenzyme: Metal substitution in phosphotriesterase using density functional methods, INT J QUANT, 75(3), 1999, pp. 289-299

Authors: Gresh, N Guo, H Salahub, DR Roques, BP Kafafi, SA

Citation: N. Gresh et al., 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, andmolecular mechanics investigation, J AM CHEM S, 121(34), 1999, pp. 7885-7894

Authors: Kafafi, SA

Citation: Sa. Kafafi, Novel density functional methodology for the computation of accurate electronic and thermodynamic properties of molecular systems and improved long-range behavior, J PHYS CH A, 102(50), 1998, pp. 10404-10413

Authors: Kafafi, SA

Citation: Sa. Kafafi, 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), J PHYS CH A, 102(50), 1998, pp. 10442-10442