Search Results - "Mattar, Saba M."

Energy Coupled Mode Theory for Electromagnetic Resonators by Elnaggar, Sameh Y., Tervo, Richard J., Mattar, Saba M.

“…There is recent interest in the inter/intra-element interactions of metamaterial (MM) unit cells. To calculate the effects of these interactions, which can be…”
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Coupled modes, frequencies and fields of a dielectric resonator and a cavity using coupled mode theory by Elnaggar, Sameh Y., Tervo, Richard, Mattar, Saba M.

“…[Display omitted] •An ab initio coupled mode theory is used to study a dielectric (DR) in a cavity (CV).•Original expressions for the frequencies and fields…”
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Coupled Mode Theory Applied to Resonators in the Presence of Conductors by Elnaggar, Sameh Y., Tervo, Richard J., Mattar, Saba M.

“…Using the method of images, Energy Coupled Mode Theory (ECMT), a coupled mode equation in the frequency domain, is extended to deal with important cases where…”
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General expressions for the coupling coefficient, quality and filling factors for a cavity with an insert using energy coupled mode theory by Elnaggar, Sameh Y., Tervo, Richard, Mattar, Saba M.

“…[Display omitted] •An EPR probe consisting of a dielectric resonator (DR) in a cavity is studied.•Coupling coefficients, filling factors and signal intensity…”
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Optimal dielectric and cavity configurations for improving the efficiency of electron paramagnetic resonance probes by Elnaggar, Sameh Y., Tervo, Richard, Mattar, Saba M.

“…[Display omitted] •A probe made of a dielectric (DR) and a cavity (CV) is studied.•Its Λ efficiency in terms of the ΛDR and ΛCV components is derived.•For CVs…”
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Modes and Fields of Two Stacked Dielectric Resonators in a Cavity of an Electron Paramagnetic Resonance Probe by Mattar, Saba M., Elnaggar, Sameh Y.

“…An electron paramagnetic resonance (EPR) probe consisting of two dielectric resonators (DRs) and a cavity (CV) is ideal for EPR experiments where both signal…”
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Accurate Calculation of the Phenyl Radical's Magnetic Inequivalency, Relative Orientations of Its Spin Hamiltonian Tensors, and Its Electronic Spectrum by Mattar, Saba M

“…The phenyl radical's electronic structure, magnetic inequivalency, spin Hamiltonian tensor components, and the relative orientation of their principal axes are…”
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Analysis of two stacked cylindrical dielectric resonators in a TE₁₀₂ microwave cavity for magnetic resonance spectroscopy by Mattar, Saba M, Elnaggar, Sameh Y

“…The frequency, field distributions and filling factors of a DR/TE₁₀₂ probe, consisting of two cylindrical dielectric resonators (DR1 and DR2) in a rectangular…”
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Effects of Restricted Rotations and Dynamic Averaging on the Calculated Isotropic Hyperfine Coupling Constants of the bis-Dimethyl and bis-Di(trifluoromethyl) Nitroxide Radicals by Mattar, Saba M, Sanford, Jacob

“…The rotational effects of the CH3 and CF3 groups on the electronic structure and nuclear hyperfine coupling constants (HFCCs) in dimethylnitroxide (DMNO·) and…”
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Calculation of the 4,5-dihydro-1,3,2-dithiazolyl radical g tensor components by the coupled-perturbed Kohn-Sham hybrid density functional and configuration interaction methods: a comparative study by Mattar, Saba M., Durelle, Jeremy

“…The g tensor components of the 4,5‐dihydro‐1,3,2‐dithiazolyl (H2DTA•) radical, which is a basic building block for molecular magnets and spintronic devices, is…”
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Role of the Solvent in Computing the 1,4-Benzosemiquinone g-Tensor by the Coupled-Perturbed Kohn−Sham Hybrid Density Functional Method by Mattar, Saba M

“…The 1,4-benzosemiquinone (BzSQ) g-tensor components, in the gas phase and in methanol, are computed. Neese's coupled-perturbed Kohn−Sham method is used, in…”
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Assignment of the 6,6′-Dioxo-3,3′-biverdazyl Ground State by Using Broken Symmetry and Spectroscopy Oriented Configuration Interaction Techniques by Mattar, Saba M, Dokainish, Hisham M

“…The singlet-triplet energy differences (Δ E ST) and the Heisenberg−Dirac−van-Vleck exchange parameter (J) of 6,6′-dioxo-3,3′-biverdazyl (BVD) have been studied…”
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Role of the Geometry, Restricted Rotations and Solvents on the Computed 2,2′-Diphenyl-1-picrylhydrazyl Hyperfine Tensors by Mattar, Saba M, Sanford, Jacob

“…The nuclear hyperfine tensor (A) components of the 2,2′-diphenyl-1-picrylhydrazyl neutral radical are computed using the UB1LYP hybrid density functional…”
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Toward a More General Synthetic Route to Paramagnetic Solids Containing RCNSSS•+ Radical Cations. A Structure−Property Correlation for RCNSSS•+ (R = F5C2, Cl3C) by Decken, Andreas, Mattar, Saba M, Passmore, Jack, Shuvaev, Konstantin V, Thompson, Laurence K

“…Reaction of Cl3CN and F5C2CN with a 1:1 mixture of S4(AsF6)2 and S8(AsF6)2 affords the paramagnetic solids Cl3CNSSSAsF6 (1CCl 3 AsF 6 ) and F5C2CNSSSAsF6 (1C 2…”
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g Tensor computation of the thiopheno-1,3,2-dithiazolyl radical by the coupled-perturbed Kohn–Sham hybrid density functional method by Mattar, Saba M., Sanford, Jacob, Goodfellow, Alyson D.

“…The g and hyperfine tensor components of the thiopheno-1,3,2-dithiazolyl radical are computed by Neese’s coupled-perturbed Kohn–Sham hybrid density functional…”
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Role of the Solvent in Computing the 1,4-Benzosemiquinone g-Tensor by the Coupled-Perturbed Kohn−Sham Hybrid Density Functional Method by Mattar, Saba M

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Magneto-Structural Relationships for Radical Cation and Neutral Pyridinophane Structures with Intrabridgehead Nitrogen Atoms. An Integrated Experimental and Quantum Mechanical Study by Williams, Ffrancon, Chen, Guo-Fei, Mattar, Saba M, Scudder, Paul H, Trieber, Dwight A, Saven, Jeffery G, Whritenour, David C, Cimino, Paola, Barone, Vincenzo

“…An integrated experimental and computational approach was used to compare the properties of representative molecules containing intrabridgehead nitrogen atoms…”
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Spectroscopic Studies of the Intermediates in the Conversion of 1,4,11,12-Tetrahydro-9,10-anthraquinone to 9,10-Anthraquinone by Reaction with Oxygen under Basic Conditions by Mattar, Saba M, Emwas, Abdul H, Calhoun, Larry A

“…The intermediates of the 1,4,11,12-tetrahydro-9,10-anthraquinone (THAQ) to 9,10-anthraquinone (AQ) reaction are studied by various spectroscopic and…”
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A tuneable doubly stacked dielectric resonator housed in an intact TE102 cavity for electron paramagnetic resonance spectroscopy by MATTAR, Saba M, EMWAS, Abdul H

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Accurate computations of the methyl isotropic hyperfine coupling constants in 2-methyl-1,4-benzosemiquinone radical intermediate by Mattar, Saba M., Emwas, Abdul H., Stephens, Alyson D.

“…The accuracy of the UB1LYP hybrid density functional as a method of calculating the isotropic hydrogen hyperfine coupling constants, a iso ( 1 H) , of a…”
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