Max Planck Institute for Chemical Physics of Solids-ko ikertzaileekin lankidetzan egindako argitalpenak (8)

2022

  1. Localization and Delocalization in Solids from Electron Distribution Functions

    Journal of Chemical Theory and Computation, Vol. 18, Núm. 7, pp. 4245-4254

2021

  1. Interacting Quantum Atoms Method for Crystalline Solids

    Journal of Physical Chemistry A, Vol. 125, Núm. 40, pp. 9011-9025

2019

  1. The crystal structure of visible light absorbing piezoelectric semiconductor SrNb2V2O11 revisited: High-resolution X-ray diffraction, vibrational spectroscopy and computational study

    Journal of Materials Chemistry C, Vol. 7, Núm. 18, pp. 5497-5505

2017

  1. Electron sharing and localization in real space for the Mott transition from 1RDMFT periodic calculations

    Theoretical Chemistry Accounts, Vol. 136, Núm. 9

2016

  1. Decay rate of correlated real-space delocalization measures: Insights into chemical bonding and mott transitions from hydrogen chains

    Journal of Chemical Theory and Computation, Vol. 12, Núm. 7, pp. 3053-3062

2015

  1. Efficient algorithms for Hirshfeld-I charges

    Journal of Chemical Physics, Vol. 143, Núm. 8

2012

  1. Beyond standard charge density topological analyses

    Modern Charge-Density Analysis (Springer Netherlands), pp. 303-358

  2. Synthesis and structural relationship of complex tantalum phosphates in the flux system K2O-P2O5-Ta2O 5-MoO3

    International Conference on Oxide Materials for Electronic Engineering, OMEE 2012