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• W2095245232 abstract "An accurate potential energy surface has been determined for methanol from ab initio potential data at the CCSD(T) level of theory with an aug-cc-pVTZ basis. The resulting potential function is valid over all twelve vibrational degrees of freedom for all near-equilibrium and torsional configurations. A torsional reaction path has been derived for this potential, from which the low-lying vibrational levels of methanol have been calculated by the reaction path version of MULTIMODE. Comparisons with experiment and other calculations are made." @default.
• W2095245232 created "2016-06-24" @default.
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• W2095245232 date "2007-04-18" @default.
• W2095245232 modified "2023-10-03" @default.
• W2095245232 title "Vibrational Levels of Methanol Calculated by the Reaction Path Version of MULTIMODE, Using an ab initio, Full-Dimensional Potential" @default.
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• W2095245232 doi "https://doi.org/10.1021/jp070398m" @default.
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