A note to the paper “An efficient algorithm for linear programming” of V Ch Venkaiah

In Venkaiah [1] an algorithm for solving linear optimization problems based on the idea of the projective algorithm of Karmarkar, is proposed. The essential simplification in the new algorithm is the use of a fixed projection operator. In this way the algorithm requires onlyO(n ² ) operations to obtain a sufficient exact solution. In this note it is shown that in some special cases the algorithm of Venkaiah yields a feasible solution that is far from the optimal one.     

Ab initio predictions of zeolite structures and Si NMR chemical shifts

A recent shell-model potential parameterized on ab initio data is used for predicting the all-silica structures of zeolites MFI, MEI, MTW, TON, FAU and of α-quartz. Cluster models are defined around each site and the ²⁹Si NMR shielding constants are calculated by ab initio techniques (GIAO-HF). Good agreement with observed ²⁹Si NMR chemical shifts is found. Comparison is made with shifts calculated for observed structures. The structures predicted by the ab initio shell-model potential prove as accurate as the observed ones when judged on the quality of the calculated ²⁹Si NMR spectra.     

Origins and structures of background ions produced by fast-atom bombardment of glycerol

Accurate mass measurements were used to assign elemental compositions and tandem mass spectrometry was used to characterize the peak-at-every-mass background ions produced by kiloelectron-volt-particle bombardment of neat fast-atom bombardment matrices. The majority of the background ions observed in the mass spectrum of neat glycerol was identified. On the basis of the experiments with glycerol, a theory for the formation of background ions is presented. Results are discussed according to the chemical and physical changes that ygoe;on-volt-particle bombardment produces in the matrix.     

Octahedral metallo-mesogens of chromium, molybdenum and tungsten with 1,4,7-trisubstituted 1,4,7-triazacyclononane and three carbonyl groups as ligands

Liquid crystalline complexes with chromium, molybdenum and with tungsten as metallic centres are reported. 1,4,7-Trisubstituted 1,4,7-triazacyclononane and three carbonyl groups are coordinated in an octahedral geometry. The observed mesophases are characterized as disordered rectangular columnar of a pyramidic type.