A matrix equation for association schemes

Let be a self-dual P-polynomial association scheme. Then there are at most 12 diagonal matricesT such that (PT)³ =I. Moreover, all of the solutions for the classical infinite families of such schemes (including the Hamming scheme) are classified.This work was supported by NSF grant DMS-9400510.     

Skew-grid dichroic plate with rectangular apertures for use on a Ka-Band beam waveguide antenna

The first Ka-Band Deep Space Network downlink demonstration was recently carried out by the Ka-Band Link Experiment (KABLE) in association with the Mars Observer spacecraft. In order to support the mission, a dichroic plate was required in the DSS-13 beam waveguide antenna to allow simultaneous X- and Ka-Band dual-frequency operation. AnX/Ka/KABLE dichroic plate was designed to transmit a future Ka-Band downlink (31.8–32.3 GHz), future Ka-Band uplink (34.2–34.7 GHz), and KABLE downlink frequency (33.6–33.8 GHz), while reflecting X-band (7.1–8.6 GHz). A computer program was developed for the analysis of a dichroic plate with rectangular apertures using the mode-matching method. The plate was then fabricated and tested. The reflection, group delay, and noise temperature in the antenna system due to the dichroic plate were measured. The experimental results show good agreement with theoretical predictions.     

A molecular dynamics study of carbon dioxide in water: diffusion,structure and thermodynamics

Atomistic simulations are reported of a model of CO₂ in water. CO₂ is modelled by partial charges and Lennard-Jones interaction sites on each atom; the SPC/E model for water is used. Good agreement with experiment is found for the translational diffusion constants. The variation of the dynamics with the potential parameter was investigated. As expected, the orientational correlation times increase as the magnitude of the quadrupole moment is increased, but the translational diffusion constants are found to be surprisingly insensitive to the magnitude of the CO₂ quadrupole moment. The translational friction coefficient was resolved into electrostatic, Lennard-Jones and cross-terms; the Lennard-Jones contribution is found to be the largest. Varying the Lennard-Jones size parameter affects both translational and reorientational motion. In order to try to understand these results further, the variation of solvation free energy was investigated and the solvent structure around carbon dioxide was examined as the electrostatic and Lennard-Jones parameters were changed. The temperature dependence of the self-diffusion constant of pure SPC/E water was determined.     

High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview

Effects of increased basis-set size as well as a correlated treatment of the diagonal Born-Oppenheimer approximation are studied within the context of the high-accuracy extrapolated ab initio thermochemistry (HEAT) theoretical model chemistry. It is found that the addition of these ostensible improvements does little to increase the overall accuracy of HEAT for the determination of molecular atomization energies. Fortuitous cancellation of high-level effects is shown to give the overall HEAT strategy an accuracy that is, in fact, higher than most of its individual components. In addition, the issue of core-valence electron correlation separation is explored; it is found that approximate additive treatments of the two effects have limitations that are significant in the realm of <1 kJ mol(-1) theoretical thermochemistry.     

Vibrational spectroscopy of nitroalkane chains using electron autodetachment and ar predissociation

If the binding energy of an excess electron is lower than some of the vibrational levels of its host anion, vibrational excitation can lead to autodetachment. We use excitation of CH stretching modes in nitroalkane anions (2700-3000 cm(-1)), where the excess electron is localized predominantly on the NO2 group. We present data on nitroalkane anions of various chain lengths, showing that this technique is a valid approach to the vibrational spectroscopy of such systems extending to nitroalkane anions at least the size of nitropentane. We compare spectra taken by using vibrational autodetachment with spectra obtained by monitoring Ar evaporation from Ar solvated nitroalkane anions. The spectra of nitromethane and nitroethane are assigned on the basis of ab initio calculations with a detailed analysis of Fermi resonances of CH stretching fundamentals with overtones and combination bands of HCH bending modes.