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

artículo científico publicado en 2006

Assessing the electric-field approximation to IR and Raman spectra of dilute HOD in D2O

scientific article published on 01 July 2009

Complementarity between high-energy photoelectron and L-edge spectroscopy for probing the electronic structure of 5d transition metal catalysts.

artículo científico publicado en 2010

Core level binding energies of functionalized and defective graphene

artículo científico publicado en 2014

Core-hole-induced dynamical effects in the x-ray emission spectrum of liquid methanol.

artículo científico publicado en 2017

Diffraction and IR/Raman data do not prove tetrahedral water.

artículo científico publicado en 2008

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

artículo científico publicado en 2010

First-principles model potentials for lattice-dynamical studies: general methodology and example of application to ferroic perovskite oxides

artículo científico publicado en 2013

On the range of water structure models compatible with X-ray and neutron diffraction data.

artículo científico publicado en 2009

Stability of Pt-Modified Cu(111) in the Presence of Oxygen and Its Implication on the Overall Electronic Structure

Temperature-Dependent Classical Phonons from Efficient Nondynamical Simulations ⬇️

artículo científico publicado el 8 de marzo de 2013

Vibrational interference effects in x-ray emission of a model water dimer: Implications for the interpretation of the liquid spectrum

article

X-ray emission spectroscopy and density functional study of CO/Fe(100)

artículo científico publicado en 2012

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