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  1. Final Report [electronic resource]

    Washington, D.C. : United States. Dept. of Energy. Office of Energy Research ; Oak Ridge, Tenn. : distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy, 2006

    ∙ We have succeeded in developing simulation methods that reliably predict performance of ion trap mass spectrometers including the relationship between geometry, electric fields, ion motion, and mass spectra ∙ These procedures have been used to optimize cylindrical ion traps (CITs) including those used in the commercial Griffin Analytical Technologies instruments ∙ We have generalized the simulation program (ITSIM) to allow calculation of ion motion and of mass spectra in 3D electric fields of any arbitrary shape ∙ We have invented the rectilinear ion traps (RIT), a version of linear ion trap which traps an order of magnitude more ions than previous 3D (Paul) ion traps ∙ We have simulated and built arrays of ion traps suited to multiplexed mass analysis and other purposes ∙ Practical applications of our ion traps in miniature mass spectrometers include air monitoring applications (DHS supported) and explosives monitoring experiments (TSA supported) both based on the fundamental DOE-supported work ∙ Applications and simulations of ion motion in the newly commercialized high resolution mass spectrometer (Orbitrap) employed for the understanding of ion motion and its control developed using the ITSIM program ∙ Large inverse KIEs have been discovered in halogen cluster ions and are interesting for their magnitude and mechanistic implications (threshold angular momentum effects on rotational predissociation) ∙ The kinetic method of thermochemical estimation has been extended to quantitative chiral analysis and the methodology has been transferred to the pharmaceutical industry through lectures, discussions and collaborations ∙ The kinetic method has also been successfully applied to the quantatitave analysis of structural isomers, especially isomeric peptides ∙ The serine octamer has been generated by sublimation; this magic-number cluster exists in two isomeric forms and has a strong preference for homochirality. The implications of these and related observations on sprayed serine for the origin of homochirality on earth confirm our work in this area

    Online OSTI

  2. Functional nanometer-sized clusters of transition metals : synthesis, properties and applications

    [Cambridge] : Royal Society of Chemistry, 2014.

    This book highlights recent progress and challenges in size-controlled synthesis, size-dependent properties, characterization and applications of metal nanoclusters.Metal nanoclusters, which bridge metal atoms and nanocrystals, are gaining attention due to their unique chemical and physical properties which differ greatly from their corresponding large nanoparticles and molecular compounds. Their electronic and optical properties are of particular interest for their use in sensing, optoelectronics, photovoltaics and catalysis. The book highlights recent progress and challenges in size-controlled synthesis, size-dependent properties, characterization and applications of metal nanoclusters. Specific topics include organochalcogenolate-stabilized metal nanoparticles, water-soluble fluorescent silver nanoclusters, thiolate-protected Au and Ag nanoclusters, DNA-templated metal nanoclusters, fluorescent platinum nanoclusters and janus nanoparticles by interfacial engineering. Edited by active researchers in the area, the book provides a valuable reference for researchers in the area of functional nanomaterials. It also provides a guide for graduate students, academic and industrial researchers interested in the fundamentals of the materials or their applications.

    Online RSC Publishing

  3. Advances in artificial intelligence and security : 7th International Conference, ICAIS 2021, Dublin, Ireland, July 19-23, 2021, Proceedings. Part III

    Cham, Switzerland : Springer, [2021]

    The 3-volume set CCIS 1422, CCIS 1423 and CCIS 1424 constitutes the refereed proceedings of the 7th International Conference on Artificial Intelligence and Security, ICAIS 2021, which was held in Dublin, Ireland, in July 2021. The total of 131 full papers and 52 short papers presented in this 3-volume proceedings was carefully reviewed and selected from 1013 submissions. The papers were organized in topical sections as follows: Part I: artificial intelligence; Part II: artificial intelligence; big data; cloud computing and security; Part III: cloud computing and security; encryption and cybersecurity; information hiding; IoT security.

    Online SpringerLink

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