17 research outputs found
ChemInform Abstract: Effect of Skeletal Relaxation on the Methyl Torsion Potential in Acetaldehyde
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Ro-vibrationally averaged molecular structure of benzene: Why almost the same bond lengths are observed for the C–H and C–D bonds?
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Performance of computationally intensive parameter sweep applications on Internet-based Grids of computers: the mapping of molecular potential energy hypersurfaces
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