[PDF.14ro] Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy (Understanding Chemical Reactivity)

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy (Understanding Chemical Reactivity)

[PDF.rc31] Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy (Understanding Chemical Reactivity)

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 | #9459924 in Books |  Springer |  2012-10-12 |  1995-02-28 | Original language:English | PDF # 1 |  9.45 x1.04 x6.30l,.0 | File type: PDF | 449 pages

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The theoretical chemist is accustomed to judging the success of a theoretical prediction according to how well it agrees with an experimental measurement. Since the object of theory is the prediction of the results of experiment, that would appear to be an entirely satisfactory state ofaffairs. However, ifit is true that "the underlying physicallaws ... for the whole ofchemistryare ... completely known" (1), thenit shouldbepossible, atleastinprinciple, topredict theresul...

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