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• W290405763 abstract "Symmetry-adapted perturbation theory (SAPT) has been used to investigate the intermolecular potential energy surface of CH3CN−CO2. A SAPT computation was performed for approximately 200 geometrical configurations using both a coarse grid in the five intermolecular coordinates and selected representative cuts. Four near-local minima are located on the potential energy surface. The deepest of these is −2.90 kcal/mol." @default.
• W290405763 created "2016-06-24" @default.
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• W290405763 date "1998-08-01" @default.
• W290405763 modified "2023-10-17" @default.
• W290405763 title "Investigation of the CH₃CN−CO₂ Potential Energy Surface Using Symmetry-Adapted Perturbation Theory" @default.
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• W290405763 doi "https://doi.org/10.1021/jp980935q" @default.
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