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List of works by Pavlin D Mitev

2D calculation of anharmonic OH vibrations in a layered hydroxide crystal

scientific article published on 01 August 2008

A gold cyano complex in nitromethane: MD simulation and X-ray diffraction

scientific article

Anharmonic OH vibrations in Mg(OH)2 (brucite): two-dimensional calculations and crystal-induced blueshift

scientific article published in December 2009

Calculation of anharmonic OH phonon dispersion curves for the Mg(OH)2 crystal

scientific article published on 01 July 2010

Comment on “First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO2”

scholarly article in Physical Review B, vol. 88 no. 13, October 2013

Comparing van der Waals DFT methods for water on NaCl(001) and MgO(001).

scientific article published in February 2017

Different structures give similar vibrational spectra: The case of OH− in aqueous solution

scientific article published on 01 February 2013

Fifty shades of water: Benchmarking DFT functionals against experimental data for ionic crystalline hydrates

scientific article published on 14 December 2018

Large polarization but small electron transfer for water around Al(3+) in a highly hydrated crystal

scientific article published in May 2014

Maximally resolved anharmonic OH vibrational spectrum of the water/ZnO(101¯0) interface from a high-dimensional neural network potential

article

Origin of the OH vibrational blue shift in the LiOH crystal

scientific article published in December 2008

Oxygen vacancies versus fluorine at CeO2(111): a case of mistaken identity?

scientific article published on 17 April 2014

PiNN: A Python Library for Building Atomic Neural Networks of Molecules and Materials

scientific article published on 29 January 2020

Soft modes in strained and unstrained rutileTiO2

scholarly article in Physical Review B, vol. 81 no. 13, April 2010

Vibrational models for a crystal with 36 water molecules in the unit cell: IR spectra from experiment and calculation

scientific article published on 01 April 2015

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