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• W2083896207 abstract "Abstract Self-consistent field ab initio calculations using a previously published, optimized basis set [J. Chem. Phys. 94 (1991) 6677] and second-order Moller-Plesset (MP2) perturbation theory are used in a study of the ArHCl intermolecular potential. The ab initio results are compared to the recently published H6(4, 3, 0) potential-energy surface [J. Phys. Chem. 96 (1992) 4237]. Good agreement is obtained for most features considered. Minor differences are, however, apparent on the repulsive wall of the potential; possible implications for the dynamics of vibrational energy transfer are discussed." @default.
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• W2083896207 date "1994-06-01" @default.
• W2083896207 modified "2023-09-26" @default.
• W2083896207 title "Quantum chemical investigation of the ArCHI interaction potential. Steepness and asymmetry with implications for energy transfer" @default.
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• W2083896207 doi "https://doi.org/10.1016/0301-0104(94)00067-0" @default.
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