(Q58009964)

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Calibration of Modern Density Functional Theory Methods for the Prediction of57Fe Mössbauer Isomer Shifts: Meta-GGA and Double-Hybrid Functionals

article published in 2009

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title

Calibration of Modern Density Functional Theory Methods for the Prediction of57Fe Mössbauer Isomer Shifts: Meta-GGA and Double-Hybrid Functionals (English)

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main subject

density functional theory

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Frank Neese

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author name string

Michael Römelt

series ordinal

1

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Shengfa Ye

series ordinal

2

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language of work or name

English

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publication date

2 February 2009

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published in

Inorganic Chemistry

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volume

48

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issue

3

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page(s)

784-785

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DOI

10.1021/IC801535V

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PubMed publication ID

19102678

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(Q58009964)

Calibration of Modern Density Functional Theory Methods for the Prediction of57Fe Mössbauer Isomer Shifts: Meta-GGA and Double-Hybrid Functionals

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