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  • 1
    Electronic Resource
    Electronic Resource
    QCISD(T) and B3LYP can correctly describe the EA of B, Al, and Ga (1998)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 66 (1998), S. 285-286 
    Details
    ISSN: 0020-7608
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The electron affinities (EA) of B, Al, and Ga are determined accurately at the CCSD(T), QCISD(T), and B3LYP levels of theory. The failure of the QCISD(T) and B3LYP methods reported by Jursic is attributed to his treating the wrong state of the ion.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 66: 285-286, 1998
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
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