30 research outputs found

    AN AB INITIO MOLECULAR ORBITAL STUDY OF LOW LYING ELECTRONIC EXCITED STATES OF FeC

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    a^{a}K. Aiuchi, K. Tsuji and K. Shibuya Chem. Phys. Lett. 309, 229, (1999).Author Institution: Department of Chemistry, Faculty of Science, Ochanomizu University,; Department of Chemistry, Faculty of Science, National Institute for Advanced Interdisciplinary Research; Department of Chemistry, Graduate School of Science and Engineering, Tokyo Institute of TechnologySpectroscopic constants and energy levels of the ground and low-lying excited states of iron carbide, FeC, have been calculated from potential energy functions obtained by the ab initio MR-SDCI molecular orbital approach. Investigated states are 1Δ^{1}\Delta and 5Π^{5}\Pi, both of which are proposed by DF spectraaspectra^{a} as a candidate for the new Ω=2\Omega = 2 electronic state observed above the 3Δ2^{3}\Delta_{2} state by 3460cm13460 cm^{-1}. The character of each electronic state has been discussed theoretically. Contrary to the previous tentative assignment to 5Π^{5}\Pi, the MR-SDCI results predict that the observed Ω=2\Omega = 2 state should be the 1Δ^{1}\Delta state and be located at 3252cm13252 cm^{-1} above 3Δ2^{3}\Delta_{2}. The spin-orbit coupling constant for 3Δ^{3}\Delta state has also been calculated

    The development, regulation and use of biopesticides for integrated pest management

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    Over the past 50 years, crop protection has relied heavily on synthetic chemical pesticides, but their availability is now declining as a result of new legislation and the evolution of resistance in pest populations. Therefore, alternative pest management tactics are needed. Biopesticides are pest management agents based on living micro-organisms or natural products. They have proven potential for pest management and they are being used across the world. However, they are regulated by systems designed originally for chemical pesticides that have created market entry barriers by imposing burdensome costs on the biopesticide industry. There are also significant technical barriers to making biopesticides more effective. In the European Union, a greater emphasis on Integrated Pest Management (IPM) as part of agricultural policy may lead to innovations in the way that biopesticides are regulated. There are also new opportunities for developing biopesticides in IPM by combining ecological science with post-genomics technologies. The new biopesticide products that will result from this research will bring with them new regulatory and economic challenges that must be addressed through joint working between social and natural scientists, policy makers and industry

    113 CFe X 3Δi Iron carbide

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