Potential Function of Ethane

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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...

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a new modification of morse potential energy function

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Converged vibrational energy levels and quantum mechanical vibrational partition function of ethane.

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ژورنال

عنوان ژورنال: Nippon kagaku zassi

سال: 1962

ISSN: 0369-5387,2185-0917

DOI: 10.1246/nikkashi1948.83.9_976