Are recent water models obtained by fitting diffraction data consistent with infrared/Raman and x-ray absorption spectra? (Q31089425)

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23 December 2019

title

Are recent water models obtained by fitting diffraction data consistent with infrared/Raman and x-ray absorption spectra? (English)

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23 December 2019

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2

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23 December 2019

Hirohito Ogasawara

3

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23 December 2019

Anders R Nilsson

6

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23 December 2019

Lars G.M. Pettersson

7

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23 December 2019

4

Michael Odelius

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23 December 2019

5

Lars-Ake Näslund

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23 December 2019

author name string

Mikael Leetmaa

1

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23 December 2019

language of work or name

English

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publication date

1 December 2006

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Journal of Chemical Physics

23 December 2019

published in

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23 December 2019

volume

125

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23 December 2019

issue

24

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23 December 2019

page(s)

244510

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Energetics of hydrogen bond network rearrangements in liquid water.

23 December 2019

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1 reference

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Half or full core hole in density functional theory X-ray absorption spectrum calculations of water?

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21 January 2018

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21 January 2018

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Combined X-ray absorption spectroscopy and density functional theory examination of ferrocene-labeled peptides.

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Unified Approach for Molecular Dynamics and Density-Functional Theory

21 January 2018

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X-ray absorption spectra of water within a plane-wave Car-Parrinello molecular dynamics framework.

21 January 2018

1 reference

Calculation of near-edge x-ray-absorption fine structure at finite temperatures: spectral signatures of hydrogen bond breaking in liquid water.

21 January 2018

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Electrons and Hydrogen-Bond Connectivity in Liquid Water

21 January 2018

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