An Argon–Oxygen Covalent Bond in the ArOH+ Molecular Ion

The OH⁺ cation is a well‐known diatomic for which the triplet (³Σ^?) ground state is 50.5 kcal mol^?1 more stable than its corresponding singlet (¹Δ) excited state. However, the singlet forms a strong donor–acceptor bond to argon with a bond energy of 66.4 kcal mol^?1 at the CCSDT(Q)/CBS level, making the singlet ArOH⁺ cation 3.9 kcal mol^?1 more stable than the lowest energy triplet complex. Both singlet and triplet isomers of this molecular ion were prepared in a cold molecular beam using different ion sources. Infrared photodissociation spectroscopy in combination with messenger atom tagging shows that the two spin isomers exhibit completely different spectral signatures. The ground state of ArOH⁺ is the predicted singlet with a covalent Ar?O bond.     

Access to the Bis‐benzene Cobalt(I) Sandwich Cation and its Derivatives: Synthons for a “Naked” Cobalt(I) Source?

The synthesis and structural characterization of the hitherto unknown parent Co(bz)₂⁺ (bz=benzene) complex and several of its derivatives are described. Their synthesis starts either from a CoCO₅⁺ salt, or directly from Co₂(CO)₈ and a Ag⁺ salt. Stability and solubility of these complexes was achieved by using the weakly coordinating anions (WCAs) [Al(OR^F)₄]^? and [F{Al(OR^F)₃}₂]^? {R^F=C(CF₃)₃} and the solvent ortho‐difluorobenzene (o‐DFB). The magnetic properties of Co(bz)₂⁺ were measured and compared in the condensed and gas phases. The weakly bound Co(o‐dfb)₂⁺ salts are of particular interest for the preparation of further Co^I salts, for example, the structurally characterized low‐coordinate 12 valence electron Co(P^tBu₃)₂⁺ and Co(NHC)₂⁺ salts.     

Building the Additive Utility Functions for CAD-UFRJ Evaluation Staff Criteria

This paper presents an application of the UTA method for building utility functions for the evaluation criteria defined by the Staff Evaluation Commission (CAD) of the Rio de Janeiro Federal University (UFRJ). Every year, the CAD-UFRJ gives the staff evaluation results for each Postgraduate Engineering Programme. However, the method used to generate the staff evaluation is assumed unknown. Trying to find the CAD-UFRJ preference structure, the evaluation results supplied by CAD-UFRJ are used to apply the UTA method. Some additional information obtained from the CAD-UFRJ data is incorporated in the optimal solutions analysis.     

Disseminating a warning message to evacuate: A simulation study of the behaviour of neighbours

Large-scale evacuations are a recurring theme on news channels, whether in response to major natural or manmade disasters. The role of warning dissemination is a key part in the success of such large-scale evacuations and its inadequacy in certain cases has been a ‘primary contribution to deaths and injuries’ (Hayden et al., 2007). Along with technology-driven ‘official warning channels’ (e.g. sirens, mass media), the role of unofficial channel (e.g. neighbours, personal contacts, volunteer wardens) has proven to be significant in warning the public of the need to evacuate. Although post-evacuation studies identify the behaviours of evacuees as disseminators of the warning message, there has not been a detailed study that quantifies the effects of such behaviour on the warning message dissemination. This paper develops an Agent-Based Simulation (ABS) model of multiple agents (evacuee households) in a hypothetical community to investigate the impact of behaviour as an unofficial channel on the overall warning dissemination. Parameters studied include the percentage of people who warn their neighbours, the efficiency of different official warning channels, and delay time to warn neighbours. Even with a low proportion of people willing to warn their neighbour, the results showed considerable impact on the overall warning dissemination.     

Drawing planar graphs with circular arcs

In this paper we address the problem of drawing planar graphs with circular arcs while maintaining good angular resolution and small drawing area. We present a lower bound on the area of drawings in which edges are drawn using exactly one circular arc. We also give an algorithm for drawing n -vertex planar graphs such that the edges are sequences of two continuous circular arcs. The algorithm runs in O(n) time and embeds the graph on the O(n)\times O(n) grid, while maintaining Θ(1/d(v)) angular resolution, where d(v) is the degree of vertex v . Since in this case we use circular arcs of infinite radius, this is also the first algorithm that simultaneously achieves good angular resolution, small area, and at most one bend per edge using straight-line segments. Finally, we show how to create drawings in which edges are smooth C ¹ -continuous curves, represented by a sequence of at most three circular arcs. Received September 30, 1999, and in revised form March 27, 2000. Online publication October 26, 2000.     

Quantized enveloping algebras for Borcherds superalgebras

We construct quantum deformations of enveloping algebras of Borcherds superalgebras, their Verma modules, and their irreducible highest weight modules.

     

Reaction of tris(trimethylsilyl)methylsilicon halides with methanolic sodium methoxide. Probability of sila-olefin intermediates

The compounds TsiSiR₂X [Tsi = Me₃Si)₃C; R = Me, X = Cl, Br, I, or R = Ph, X = F, Cl, Br, I)] react with boiling 2 M MeONa-MeOH to give products of the type (Me₃Si)₂CHSiR₂OMe. It is suggested that the reaction proceeds through an elimination, analogous to E2 eliminations of alkyl halides, involving synchronous attack of MeO^? at an Me₃Si group, liberation of X^?, and formation of (Me₃Si)₂CSiR₂. The compounds TsiSiPhMeF TsiSiPhCl₂ react analogously to give (Me₃Si)₂CHSiPhMe(OMe) and (Me₃Si)₂CHSiPh(OMe)₂ [tha latter presumably by solvolysis of the initially-formed (Me₃Si)₂CHSiPhCl(OMe)]. The compounds TsiSiMe₂OMe and TsiSiMe₃ do not react, while TsiSiMe₂H gives TsiH. The compound TsiSiCl₃ reacts with 0.1 M MeONa-MeOH to give the substitution and elmination products TsiSiCl₂(OMe) and (Me₃Si)₂CHSi(OMe)₃ in ca. $\text{1}\text{2}$ ratio.     

Explicit Construction and Uniqueness for Universal Operator Algebras of Directed Graphs

Given a directed graph, there exist a universal operator algebraand universal C*-algebra associated to the directed graph. Inthis paper we give intrinsic constructions for these objects.We also provide an explicit construction for the maximal C*-algebraof an operator algebra. We discuss uniqueness of the universalalgebras for finite graphs, showing that for finite graphs thegraph is an isomorphism invariant for the universal operatoralgebra of a directed graph. We show that the underlying undirectedgraph is a Banach algebra isomorphism invariant for the universalC*-algebra of a directed graph.     

Programming With Models: Writing Statistical Algorithms for General Model Structures With NIMBLE

We describe NIMBLE, a system for programming statistical algorithms for general model structures within R. NIMBLE is designed to meet three challenges: flexible model specification, a language for programming algorithms that can use different models, and a balance between high-level programmability and execution efficiency. For model specification, NIMBLE extends the BUGS language and creates model objects, which can manipulate variables, calculate log probability values, generate simulations, and query the relationships among variables. For algorithm programming, NIMBLE provides functions that operate with model objects using two stages of evaluation. The first stage allows specialization of a function to a particular model and/or nodes, such as creating a Metropolis-Hastings sampler for a particular block of nodes. The second stage allows repeated execution of computations using the results of the first stage. To achieve efficient second-stage computation, NIMBLE compiles models and functions via C++, using the Eigen library for linear algebra, and provides the user with an interface to compiled objects. The NIMBLE language represents a compilable domain-specific language (DSL) embedded within R. This article provides an overview of the design and rationale for NIMBLE along with illustrative examples including importance sampling, Markov chain Monte Carlo (MCMC) and Monte Carlo expectation maximization (MCEM). Supplementary materials for this article are available online.     

Scheduling UET task systems with concurrency on two parallel identical processors

Problems with unit execution time tasks and two identical parallel processors have received a great deal of attention in scheduling theory. In contrast to the conventional models, where each task requires only one processor, we consider a situation when a task may require both processors simultaneously. For problems without precedence constraints we present several polynomial time algorithms which complement recent results of Lee and Cai. We also show that the introduction of precedence constraints leads to NP-hardness results for maximum lateness and mean flow time objective functions. For the maximum lateness problem, a family of algorithms, based upon the idea of modified due dates, is considered. The worst case behaviour of these algorithms is analysed, and it is shown that the same upper bound is tight for each algorithm of this family.