Publicaciones (31) Publicaciones de ÁLVARO LOBATO FERNÁNDEZ

2024

  1. A Micromechanical Study of Interactions of Cyanate Ester Monomer with Graphene or Boron Nitride Monolayer

    Materials, Vol. 17, Núm. 1

  2. The curious case of proton migration under pressure in the malonic acid and 4,40-bipyridine cocrystal

    IUCrJ, Vol. 11, Núm. Pt 2, pp. 168-181

  3. Where are the Excess Electrons in Subvalent Compounds? The Case of Ag7Pt2O7

    Inorganic Chemistry, Vol. 63, Núm. 13, pp. 5897-5907

2023

  1. The Zintl-Klemm concept and its broader extensions

    Comprehensive Inorganic Chemistry III, Third Edition (Elsevier), pp. 51-73

  2. The structures of inorganic crystals: A rational explanation from the chemical pressure approach and the anions in metallic matrices model

    Comprehensive Inorganic Chemistry III, Third Edition (Elsevier), pp. 238-261

2022

  1. A Chemical-Pressure-Induced Phase Transition Controlled by Lone Electron Pair Activity

    Journal of Physical Chemistry Letters, Vol. 13, Núm. 42, pp. 9883-9888

  2. Charge analysis in (RE)CrO4 scheelites by combined Raman spectroscopy and computer simulations

    Journal of Solid State Chemistry, Vol. 316

  3. Compressing the Channels in the Crystal Structure of Copper Squarate Metal-Organic Framework

    Solids, Vol. 3, Núm. 2, pp. 374-384

  4. Mechanical Characterization of Anhydrous Microporous Aluminophosphate Materials: Tridimensional Incompressibility, Ductility, Isotropy and Negative Linear Compressibility

    Solids, Vol. 3, Núm. 3, pp. 457-499

  5. Structural and Electronic Effect Driven Distortions in Visible Light Absorbing Polar Materials ATa2V2O11(A = Sr, Pb)

    Journal of Physical Chemistry C

2021

  1. Comment on “Uncommon structural and bonding properties in Ag16B4O10” by A. Kovalevskiy, C. Yin, J. Nuss, U. Wedig, and M. Jansen,Chem. Sci., 2020,11, 962

    Chemical Science, Vol. 12, Núm. 40, pp. 13588-13592

  2. Controlling the off-center positions of anions through thermodynamics and kinetics in flexible perovskite-like materials

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 8, pp. 4491-4499

  3. Highs and Lows of Bond Lengths: Is There Any Limit?

    Angewandte Chemie - International Edition, Vol. 60, Núm. 31, pp. 17028-17036

  4. Mechanical Response of Polymer Epoxy/BMI Composites with Graphene and a Boron Nitride Monolayer from First Principles

    ACS Applied Polymer Materials, Vol. 3, Núm. 2, pp. 1052-1059

  5. Temperature and pressure-induced strains in anhydrous iron trifluoride polymorphs

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 4, pp. 2825-2835

2020

  1. Generalized Stress-Redox Equivalence: A Chemical Link between Pressure and Electronegativity in Inorganic Crystals

    Inorganic Chemistry, Vol. 59, Núm. 8, pp. 5281-5291

  2. Theoretical (DFT) and experimental (Raman and FTIR) spectroscopic study on communic acids, main components of fossil resins

    Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 224

2019

  1. Chemical pressure-chemical knowledge: Squeezing bonds and lone pairs within the valence shell electron pair repulsion model

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 23, pp. 12585-12596

  2. Computational modeling of tensile stress effects on the structure and stability of prototypical covalent and layered materials

    Nanomaterials, Vol. 9, Núm. 10

2018

  1. Infrared spectroscopic study of the formation of fossil resin analogs with temperature using trans-communic acid as precursor

    Microchemical Journal, Vol. 141, pp. 294-300