Ab initio investigation of the stationar
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Wagner B. De Almeida
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Article
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1994
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Elsevier Science
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English
โ 443 KB
The ground state potential energy surface for the C2H,...S02 complex has been extensively investigated at the Hartree-Fock (HF) level of theory employing the 6-3 1 G\*\* basis set. Electron correlation effects were assessed by second-order Moller-Plesset perturbation theory in single point calculati