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- W2043115909 abstract "We investigate basis set effects for the direct calculations of coupling elements for electron transfer reactions. We discuss the advantages of direct methods versus indirect methods. Appropriate description of the coupling elements for electron transfer reactions at large intermolecular separation requires flexible basis sets." @default.
- W2043115909 created "2016-06-24" @default.
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- W2043115909 date "1994-11-01" @default.
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- W2043115909 title "Basis set effects on the direct calculation of intermolecular coupling elements for electron transfer reactions" @default.
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- W2043115909 doi "https://doi.org/10.1016/0020-1693(94)04091-5" @default.
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