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Author:Simandiras, E.D.

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3 matching references were found.

Simandiras, E.D.; Handy, N.C.; Amos, R.D., Correlated ab Initio Harmonic Frequencies and Infrared Intensities for Furan, Pyrrole, and Thiophene, J. Phys. Chem., 1988, 92, 1739. [all data]

Simandiras, E.D.; Amos, R.D.; Handy, N.C.; Lee, T.J.; Rice, J.E.; Remington, R.B.; Schaefer, H.F., Second-order peturbation theory and configuration interraction theory appli ed to medium-sized molecules: cyclopropane, ethylenimine, ethylene oxide, fluoroethane, and acetaldehyde, J. Am. Chem. Soc., 1988, 110, 1388-1393. [all data]

Handy, N.C.; Gaw, J.F.; Simandiras, E.D., Accurate ab initio prediction of molecular geometries and spectroscopic constants, using scf and mp2 energy derivatives, J. Chem. Soc., Faraday Trans., 1987, 83, 1577. [all data]