(Q57397777)

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Benchmarking Semiempirical Methods for Thermochemistry, Kinetics, and Noncovalent Interactions: OMx Methods Are Almost As Accurate and Robust As DFT-GGA Methods for Organic Molecules

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title

Benchmarking Semiempirical Methods for Thermochemistry, Kinetics, and Noncovalent Interactions: OMx Methods Are Almost As Accurate and Robust As DFT-GGA Methods for Organic Molecules (English)

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main subject

computational benchmark

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Walter Thiel

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author name string

Martin Korth

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1

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publication date

13 September 2011

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published in

Journal of Chemical Theory and Computation

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volume

7

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issue

9

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page(s)

2929-2936

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10.1021/CT200434A

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PubMed publication ID

26605482

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(Q57397777)

Benchmarking Semiempirical Methods for Thermochemistry, Kinetics, and Noncovalent Interactions: OMx Methods Are Almost As Accurate and Robust As DFT-GGA Methods for Organic Molecules

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