The folded, tetrameric phosph(III)azane macrocycle [(P(mu-NtBu))2(1,4-(NH)2C6H4)]4

The tetrameric macrocycle [(P(mu-NtBu))2(1,4-(NH)2C6H4)]4, obtained from the reaction of the phosphazane dimer [ClP(mu-NtBu)]2 with p-phenylenediamine, has an unusual folded conformation in the solid state and contains a roughly tetrahedral arrangement of endo N-H groups for the potential coordination of anions.     

Some results on construction of orthogonal Latin squares by the method of sum composition

A method of sum composition for construction of orthogona Latin squares was introduced by A. Hedayat and E. Seiden [1]. In this paper we exhibit procedures for constructing a pair of orthogonal Latin squares of size p^α + 4 for primes of the form 4m + 1 or p ≡ 1, 2, 4 mod 7. We also show that for any p > 2n and n even one can construct and orthogonal pair of Latin squares of size p^α + n using the method of sum composition. We observe that the restriction xy = 1 used by Hedayat and Seiden is sometimes necessary.     

Efficient Computation of Roots in Finite Fields

We present an algorithm to compute rth roots in $\mathbb{F}_{q^m}We present an algorithm to compute rth roots in with complexity ?[(log m + r log q) m log q] if (m,q) = 1 and either (q(q−1),r) = 1 or r|(q−1) and ((q−1)/r,r) = 1. This compares well to previously known algorithms, which need O(r m³ log³ q) steps. Paulo S. L. M. Barreto: Supported by Scopus Tecnologia S. A. José Felipe Voloch: Supported by NSA grant MDA904-03-1-0117.     

Targeting large phosp(III)azane macrocyles [{P(mu-NR)}(2)(LL)](n) (n> or = 2)

The condensation reactions of the dimer [ClP(micro-NR)](2) with organic diacids [LL(H)(2)], possessing linear orientations of their organic groups, result in the formation of phospha(III)zane macrocyles of the type [{P(mu-NR)}(2)(LL)](n) of various sizes. The series of macrocycles [{P(mu-N(t)Bu)}(2){1,5-(NH)(2)C(10)H(6)}](3), [{P(mu-NCy)}(2)(1,5-O(2)C(10)H(6))](n) [n = 3; n = 4], [{P(mu-N(t)Bu)}(2){1,4-(NH)(2)C(6)H(4)}](4), [{P(mu-N(t)Bu)}(2)(1,4-O(2)C(6)H(4))], [{P(mu-NCy)}(2)(1,4-O(2)C(6)H(4))](3) and [{P(mu-N(t)Bu)}(2){(NH)C(6)H(4)OC(6)H(4)(NH)}](2) can be related to classical organic frameworks, like calixarenes.     

Nature of the chemical bond in protonated methane

Protonated methane, CH(5)(+), is a key reactive intermediate in hydrocarbon chemistry and a borderline case for chemical structure theory, being the simplest example of hypercoordinated carbon. Early quantum mechanical calculations predicted that the properties of this species could not be associated with only one structure, because it presents serious limitations of the Born-Oppenheimer approximation. However, ab initio molecular dynamics and diffusion Monte Carlo calculations showed that the most populated structure could be pictured as a CH(3) tripod linked to a H(2) moiety. Despite this controversy, a model for the chemical bonds involved in this ion still lacks. Here we present a modern valence bond model for the electronic structure of CH(5)(+). The chemical bond scheme derived directly from our calculations pictures this ion as H(3)C...H(2)(+). The fluxionality can be seen as the result of a proton transfer between C-H bonds. A new insight on the vibrational bands at approximately 2400 and approximately 2700 cm(-1) is suggested. Our results show that the chemical bond model can be profitably applied to such intriguing systems.     

Semidefinite and linear programming integrality gaps for scheduling identical machines

Sherali and Adams (SIAM J Discrete Math 3:411–430, 1990) and Lovász and Schrijver (SIAM J Optim 1:166–190, 1991) developed systematic procedures to construct the hierarchies of relaxations known as lift-and-project methods. They have been proven to be a strong tool for developing approximation algorithms, matching the best relaxations known for problems like Max-Cut and Sparsest-Cut. In this work we provide lower bounds for these hierarchies when applied over the configuration LP for the problem of scheduling identical machines to minimize the makespan. First we show that the configuration LP has an integrality gap of at least 1024/1023 by providing a family of instances with 15 different job sizes. Then we show that for any integer n there is an instance with n jobs in this family such that after \(\varOmega (n)\) rounds of the Sherali–Adams (\(\text {SA}\)) or the Lovász–Schrijver (\(\text {LS}_+\)) hierarchy the integrality gap remains at least 1024/1023.     

Grid Methods in Computational Real Algebraic (and Semialgebraic) Geometry

In recent years, a family of numerical algorithms to solve problems in real algebraic and semialgebraic geometry has been slowly growing. Unlike their counterparts in symbolic computation they are numerically stable. But their complexity analysis, based on the condition of the data, is radically different from the usual complexity analysis in symbolic computation as these numerical algorithms may run forever on a thin set of ill-posed inputs.     

Graded polynomial identities for matrices with the transpose involution over an infinite field

Let F be an infinite field and let M_n(F) be the algebra of n×n matrices over F endowed with an elementary grading whose neutral component coincides with the main diagonal. In this paper, we find a basis for the graded polynomial identities of M_n(F) with the transpose involution. Our results generalize for infinite fields of arbitrary characteristic previous results in the literature, which were obtained for the field of complex numbers and for a particular class of elementary G-gradings.