11,796 research outputs found

    Using Pinterest in the Management Classroom

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    This paper discusses the potential value of using the social bookmarking site Pinterest in management courses. The general features and uses of Pinterest are described as well as how they can be applied in the management classroom. Pinterest offers a medium to facilitate student discovery and sharing of class relevant visual content. I discuss the use of Pinterest in my own training methods class with a class Pinterest board acting as a place for students to share class-relevant links to videos and online content based on assigned topics. I discuss other potential applications in management classes. I also discuss the logistics of implementation of a class Pinterest board and potential challenges of use

    Inflatable stretcher to transport patients

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    Inflatable plastic bag inside strong, inflexible outer bag facilitates emergency transport of seriously burned or disabled patients. When the bag is inflated the patient is completely immobilized and cushioned from external shock. Air for breathing, temperature controls and communications may be provided by appropriate plug-in connections

    The Decomposition of Hydrazine in the Gas Phase and over an Iridium Catalyst

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    Hydrazine is an important rocket fuel, used as both a monopropellant and a bipropellant. This paper presents theoretical results to complement the extensive experimental studies of the gas phase and Ir catalyzed decompositions involved in the monopropellant applications of hydrazine. Gas phase electronic structure theory calculations that include electron correlation predict that numerous molecular and free radical reactions occur within the same energy range as the basic free radical pathways: NN bond breaking around 65 kcal/mol and NH bond breaking around 81 kcal/mol. The data suggest that a revision to existing kinetics modeling is desirable, based on the energetics and the new elementary steps reported herein. A supported Ir6 octahedron model for the Shell 405 Iridium catalyst used in thrusters was developed. Self-Consistent Field and electron correlation calculations (with core potentials and associated basis sets) find a rich chemistry for hydrazine on this catalyst model. The model catalyst provides dramatically lower NN and NH bond cleavage energies and an even smaller barrier to breaking the NH bond by NH2 abstractions. Thus, the low temperature decomposition over the catalyst is interpreted in terms of consecutive NH2 abstractions to produce ammonia and nitrogen. The higher temperature channel, which has hydrogen and nitrogen products, may be due to a mixture of two mechanisms. These two mechanisms are successive NH cleavages with surface H + H recombinations, and the same type of assisted H2 eliminations found to occur in the gas phase part of this study

    Effective Nuclear Charges for the First- through Third-Row Transition Metal Elements in Spin−Orbit Calculations

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    The effective nuclear charges (Zeff), which are empirical parameters in an approximate spin−orbit Hamiltonian, are determined for the first- through third-row transition metal elements by using experimental results for the fine structure splittings in atomic terms. All calculations use multiconfiguration self-consistent-field (MCSCF) wave functions, whose active space includesnd and (n + 1)sp orbitals (n is the principal quantum number), with the effective core potential (ECP) basis sets proposed by Stevens et al., augmented by one set of polarization f functions. First-order or second-order configuration interaction (FOCI or SOCI) calculations were also performed in order to understand disagreements between the MCSCF results and the experimental ones

    Molecular Structures for Azatitanatranes

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    Ab initio geometry optimizations for a series of azatitanatranes, ZTi[−NR(CH2)2−]3N, (Z = CH3, NH2, OH, F, and N(CH3)2; R = H and CH3), have been performed. An analysis of the transannular Ti−N interaction indicates that it is significantly stronger than that found in the analogous azasilatranes. Of special significance in this calculation is the fact that theory correctly predicts that the axial Ti−N bond is shorter than the equatorial Ti−N bonds

    Triazolium-Based Energetic Ionic Liquids

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    The energetic ionic liquids formed by the 1,2,4-triazolium cation family and dinitramide anion are investigated by ab initio quantum chemistry calculations, to address the following questions:  How does substitution at the triazolium ring\u27s nitrogen atoms affect its heat of formation, and its charge delocalization? What kind of ion dimer structures might exist? And, do deprotonation reactions occur, as a possible first step in the decomposition of these materials

    Cubic Fuels?

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    The cubic molecules C4O4, N8, and Si8R8 are considered as possible high-energy propellants. The potential energy surface minimum for C4O4 is found to be incapable of supporting any bound vibrational levels. N8\u27s decomposition to 4 N2 is mapped in detail, but the initial barrier of its rather complicated dissociation is too modest to allow hope for its handling in bulk quantity. Si8H8 is found to be the most promising additive among the four R\u27s considered, but simulation of its combustion in an LH2/LOX rocket gives only a 6-s specific impulse enhancement

    An Ab Initio Study of Potential Energy Surfaces for N8 Isomers

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    The potential energy surfaces and the nature of transition structures for the decomposition of three N8 isomers (octaazapentalene, azidopentazole, and diazidodiimide) into 4 N2 are investigated using ab initio methods. These isomers are all high-energy species, relative to molecular nitrogen, but are much lower in energy than the previously studied cubic structure. Second-order perturbation theory (MP2) predicts that the dissociation of octaazapentalene proceeds via isomerization to a linear molecule. The dissociation reaction of azidopentazole prefers ring breaking, at a cost of less than 20 kcal/mol, to breaking a bond in the side chain. The cis isomer of diazidodiimide is found to be slightly more stable than that of the trans isomer at the highest levels of theory used here. The coupled cluster (CCSD(T)) diazidodiimide dissociation barrier is computed to be about 20 kcal/mol. This barrier is only marginally sufficient to make this high energy density molecule metastable

    MCSCF/6-31 G(d,p) Calculations of One-Electron Spin-Orbit Coupling Constants In Diatomic Molecules

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    The effective nuclear charges, which are empirical parameters in the approximate spin-orbit Hamiltonian, are determined for the first- and second-row elements in the periodic table using the experimental results of the fine structure splittings in the doublet and triplet II states of AH molecules (A is an atom in the first or second row). All calculations are performed using the full optimized reaction space multiconfiguration self-consistent-field wave functions with the 6-3 lG(d,p) basis set. Using these effective nuclear charges, the fine structure splittings calculated for the doublet and triplet II states of many diatomic molecules are in excellent agreement with experimental results. These charges are also applied to evaluate spin-orbit coupling constants connecting singlet and triplet states in some diatomic molecules and H2C0
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