Novel Density Functional Methodology for the Computation of Accurate Electronic and Thermodynamic Properties of Molecular Systems and Improved Long-Range Behavior von Kafafi, Sherif A

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Binding of Polychlorinated Biphenyls to the Aryl Hydrocarbon Receptor von Kafafi, Sherif A., Afeefy, Hussein Y., Ali H. Ali, Said, Hakim K., Kafafi, Abdel G.

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Photophysical properties and intramolecular charge transfer in substituted polyimides von LaFemina, John P, Kafafi, Sherif A

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Computation of the electronic and spectroscopic properties of carbohydrates using novel density functional and vibrational self-consistent field methods von Gregurick, S.K, Kafafi, S.A

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A new structure-activity model for Ah receptor binding. Polychlorinated dibenzo-p-dioxins and dibenzofurans von Kafafi, Sherif A, Afeefy, Hussein Y, Said, Hakim K, Hakimi, Janette M

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Electronic structure and conformation of polymers from cluster molecular orbital and molecular mechanics calculations: polyimide von Kafafi, Sherif A, LaFemina, John P, Nauss, Jeffrey L

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Rate constants for hydrogen abstraction reactions of the sulfate radical, SO4-: experimental and theoretical results for cyclic ethers von Huie, Robert E, Clifton, Carol L, Kafafi, Sherif A

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Experimental and ab initio studies of electronic structures of the CCl sub 3 radical and cation von Hudgens, J.W., Johnson, R.D. III, Tsai, B.P., Kafafi, S.A.

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Rate constants for hydrogen abstraction reactions of the sulfate radical, SO sub 4 sup minus. Experimental and theoretical results of cyclic ethers von Huie, R.E., Clifton, C.L., Kafafi, S.A.

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