A New Modification of Morse Potential Energy Function

a new modification of morse potential energy function

interaction of meso — tetrakis (p-sulphonato phenyl) porphyrin (hereafter abbreviated to tspp)with na+ has been examined using hf level of theory with 6-31g* basis set. counterpoise (cp)correction has been used to show the extent of the basis set superposition error (bsse) on thepotential energy curves. the numbers of na+ have a significant effect on the calculated potentialenergy curve (includ...

bound state energy of delta-function potential: a new regularization scheme

in this letter we have proposed a new regularization scheme to deal with the divergent integralsoccurring in the quantum mechanical problem of calculating the bound state energy of the delta-functionpotential in two and three dimensions. based on the schwinger parameterization technique we argue thatthere are no infinities even in d dimensions. in this way we were able to compare our proposal w...

Global Optimization of Morse Clusters by Potential Energy Transformations

The global optimization of Morse clusters by potential energy transformations

University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW, United Kingdom San Diego Supercomputer Center, University of California, San Diego, USA Dipartimento di Informatica, Università di Torino, Corso Svizzera 185, I-10149 Torino, Italy Dipartimento di Sistemi e Informatica, Università di Firenze, Via di S.Marta, 3, I-50139 Firenze 185, Italy [email protected] • [email protected] • locate...

fabrication of new ion sensitive field effect transistors (isfet) based on modification of junction-fet for analysis of hydronium, potassium and hydrazinium ions

a novel and ultra low cost isfet electrode and measurement system was designed for isfet application and detection of hydronium, hydrazinium and potassium ions. also, a measuring setup containing appropriate circuits, suitable analyzer (advantech board), de noise reduction elements, cooling system and pc was used for controlling the isfet electrode and various characteristic measurements. the t...

Energy terms in potential function

where r is the distance between covalently bonded atoms , a is the corresponding equilibrium distance, and ka is the spring constant. The equilibrium distance between atoms can be obtained from X-ray diffraction experiments or using ab initio quantum calculations. The spring constant can be determined using the results of infrared adsorption and Raman spectroscopy. The frequency of bond length ...