(Q57640800)

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Construction of New Electronic Density Functionals with Error Estimation Through Fitting

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Construction of New Electronic Density Functionals with Error Estimation Through Fitting (English)

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T. Bligaard

2

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author name string

V. Petzold

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1

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K. W. Jacobsen

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3

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publication date

24 April 2012

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published in

Topics in Catalysis

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volume

55

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issue

5-6

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page(s)

402-417

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exact match

https://scigraph.springernature.com/pub.10.1007/s11244-012-9801-7

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Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals

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Real-space grid implementation of the projector augmented wave method

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Ammonia synthesis from first-principles calculations.

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Role of Steps inN2Activation on Ru(0001)

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10.1007/S11244-012-9801-7

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(Q57640800)

Construction of New Electronic Density Functionals with Error Estimation Through Fitting

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