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Volumn 92, Issue 3, 1997, Pages 445-448

On the possible existence of a charge-separated (H3O+)4 (OH-)4 form of (H2O)8

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EID: 0012285138     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/002689797170185     Document Type: Article
Times cited : (3)

References (30)
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    • The Becke3LYP functional combines the Becke's hybrid exchange functional (Becke, A. D., 1993, J. chem. Phys., 98, 5648) and the LYP correlation functional (Lee, C., Yang, W., and Parr, R. G., 1988, Phys. Rev. B, 37, 785) with the weights of the various terms in the functional being the default values in Gaussian 94 [26].
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