Additivity model study of EHT electron densities in some fluoro- and aza-substituted naphthalenes

It has been shown that a simple additivity model can be used quite successfully to predict EHT electron densities in a series of fluoro- and aza-substituted naphthalenes. The predicted electrondensities have been used to obtain good estimates of ¹H NMR chemical shifts in a series of aza-naphthalenes.     

Molecular orbital studies on diazine mono and di N-oxides

Pariser-Parr-Pople, iterative extended Huckel, CNDO/2 and MINDO/2 methods have been applied to diazine mono and di N-oxides. Electronic transitions and chemical reactivity of these molecules are explained. Dipole moments, heats of formation and binding energy are calculated.     

Codonocarpus alkaloids—III : The structure of codonocarpine

The structures of two Lunaria-type alkaloids, codonocarpine and N-methylcodonocarpine, from Codonocarptis australis were established by a series of chemical transformations and spectral studies.     

Massive neutrinos

There have been recent discussions, associated with the solar neutrino problem, that consider the neutrino to have rest mass. Here we give a discussion of massive neutrinos in general relativity. There are no solutions to the Einstein-zero mass neutrino equations for spherically-symmetric spacetimes. A sphrically-symmetric solution to the Einstein - massive neutrino equations is presented.     

Systematics of diatomic molecular transition moments: Encouraging progress

Literature absolute transition moments for A-X (0-0) bands have been used to obtain “best” values of R_e for some 30 molecules. For isoelectronic sequences, R_e vs Z (heavy)/Z (light) is steeper at abscissae near 1.0 than a larger abscissae, contrary to expectation. For isovalent sequences, e.g. CH, SiH, R_e (WY) is in each lower (average, 53%) than R_e (WX). Suggestions will emerge for measurements which would be helpful in furthering diatomic molecular transition moment systematics.     

Floaing spherical gaussian orbital (FSGO) studies with a model potential: Some alkali halides

A gaussian based model potential is used in the framework of the FSGO approach to study the equilibrium geometries, force constants and charge distributions of some alkali halides (LiF, LiCl, NaF, NaCl, KF and KCl). The predicted results are in good agreement with the available experimental data and the results of other ab-initio studies.