Biomedical subjects
Publications and source records attributed to TM Kalotas.
We present a semiclassical treatment for the inclusion of kinetic energy-dependent variations in the moment of inertia for certain molecules exhibiting internal rotational motion. The model is applied to trifluoroacetyl bromide and the resulting dynamically modified transition energies yield an improved spectral deviation in contrast to the rigid model. Copyright 1998 Academic Press.
We present a diatomic potential which closely resembles the standard Morse function but incorporates additional flexibility for fitting experimental vibrational energy-gap data. This flexibility is accommodated by introducing a continuously variable radially dependent change in the exponent of the Morse function, which in practice is adequately realized via a relatively small number of constant parameters. As an illustration, the method is applied to calculate the quantum vibrational levels of the X1Sigma+ g ground electronic state of the N2 molecule. Copyright 1998 Academic Press.
We present a systematic technique for the calculation of quantum potentials which fit experimentally specified transition spectra. With the aid of examples involving the molecular torsion of single-top molecules, we show how via a very small number of iterations, the observed spectrum may be approached to within a minimal deviation. Copyright 1997 Academic Press. Copyright 1997Academic Press