Browsing by author "Salvado Sánchez, Miguel Ángel"

A mechanism for aragonite to post-aragonite transition in MCO3 (M = Ca, Sr and Ba) carbonates: evidence of a hidden metastable polymorph

Salvado Sánchez, Miguel Ángel

; Pertierra Castro, María del Pilar

; Recio Muñiz, José Manuel

(2022)

Atomic contributions to zno mechanical properties at negative and positive pressures

Lakehal, H.; Chorfi, H.; Zouchoune, B.; Lobato, Á.; Álvarez-Uría Franco, Ruth

; Pertierra Castro, María del Pilar

; Salvado Sánchez, Miguel Ángel

; Recio Muñiz, José Manuel

(2024)

Chemical Bond Formation and Rupture Processes: An Application of DFT-Chemical Pressure Approach

Osman, Hussien Helmy Hassan

; Andrés, Juan; Salvado Sánchez, Miguel Ángel

; Recio Muñiz, José Manuel

(2018)

Chemical Pressure Maps of Molecules and Materials: Merging the Visual and Physical in Bonding Analysis

Osman, Hussien Helmy Hassan

; Salvado Sánchez, Miguel Ángel

; Pertierra Castro, María del Pilar

; Engelkemier, J.; Fredrickson, D. C.; Recio Muñiz, José Manuel

(2018)

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

Lobato, A.; Osman, Hussien Helmy Hassan

; Salvado Sánchez, Miguel Ángel

; Taravillo, M.; García Baonza, Valentín; Recio Muñiz, José Manuel

(2019)

Chemical pressures in crystalline solids

Osman, Hussien Helmy Hassan

(2017-06-20)

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

Lobato Fernández, Álvaro

; Salvado Sánchez, Miguel Ángel

; Recio Muñiz, José Manuel

(2021)

Computational Modeling of Tensile Stress Effects on the Structure and Stability of Prototypical Covalent and Layered Materials

Chorfi, Hocine; Lobato Fernández, Álvaro

; Boudjada, Fahina; Salvado Sánchez, Miguel Ángel

; Álvarez-Uría Franco, Ruth

; Baonza, Valentín G.; Recio Muñiz, José Manuel

(2019)

Computer simulations of 3C-SiC under hydrostatic and non-hydrostatic stresses

Guedda, H. Z.; Ouahrani, Tarik; Morales García, A.; Franco, Rafael; Salvado Sánchez, Miguel Ángel

; Pertierra Castro, María del Pilar

; Recio Muñiz, José Manuel

(2016)

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

Lobato Fernández, Álvaro

; Recio-Poo, M.; Otero de la Roza, Alberto

; Salvado Sánchez, Miguel Ángel

; Recio Muñiz, José Manuel

(2021)

Decoupled structural and non-collinear magnetic phase transitions in Fe(ND3)(2)PO4

Fernández Alfonso, María Belén Aurora

; Trobajo Fernández, María del Camino

; Piqué Rami, María del Carmen

; Fernández Díaz, María Teresa; Rodríguez Fernández, Jesús; Salvado Sánchez, Miguel Ángel

; Pertierra Castro, María del Pilar

; García-Granda, Santiago

; Blanco Rodríguez, Jesús Ángel

; García Menéndez, José Rubén

(2010)

Denser than diamond: Ab initio search for superdense carbon allotropes

Zhu, Qiang; Oganov, Artem R.; Salvado Sánchez, Miguel Ángel

; Pertierra Castro, María del Pilar

; Lyakhov, Andriy O. (2011)

Determinación estructural de materiales policristalinos por difracción de rayos x y neutrones. Fosfatos laminares y tridimensionales

Salvado Sánchez, Miguel Ángel

(1999)

Determinación estructural por métodos de difracción de polvo cristalino de nuevos silicatos con metales en coordinación octaédrica

Pertierra Castro, María del Pilar

(2000-11-03)

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

Lobato, A.; Osman, Hussien Helmy Hassan

; Salvado Sánchez, Miguel Ángel

; Pertierra Castro, María del Pilar

; Vegas, Ángel; García Baonza, Valentín; Recio Muñiz, José Manuel

(2019)

Highs and lows of bond lengths: Is there any limit?

Lobato Fernández, Álvaro

; Salvado Sánchez, Miguel Ángel

; Recio Muñiz, José Manuel

; Taravillo, Mercedes; Baonza, Valentín G. (2021)

Hysteresis and bonding reconstruction in the pressure-induced B3-B1 phase transition of 3C-SiC

Salvado Sánchez, Miguel Ángel

; Álvarez-Uría Franco, Ruth

; Pertierra Castro, María del Pilar

; Ouahrani, Tarik; Recio Muñiz, José Manuel

(2017)

Phosphorous acid and urea: Valuable sources of phosphorus and nitrogen in the hydrothermal synthesis of ammonium-thorium phosphates

Salvado Sánchez, Miguel Ángel

; Pertierra Castro, María del Pilar

; Bortun, Anatoly I.; Trobajo Fernández, María del Camino

; García Menéndez, José Rubén

(2008)

Preference for a pressure-induced 3D structure after 1T-HfSe2

Hilleke, Katerina P.; Álvarez-Uría Franco, Ruth

; Pertierra Castro, María del Pilar

; Salvado Sánchez, Miguel Ángel

; Zurek, Eva; Recio Muñiz, José Manuel

(2023-08)

Pressure and temperature stability boundaries of cubic sic polymorphs: a first-principles investigation

Pertierra Castro, María del Pilar

; Salvado Sánchez, Miguel Ángel

; Álvarez-Uría Franco, Ruth

; Recio Muñiz, José Manuel

(2022)

Browsing by author "Salvado Sánchez, Miguel Ángel"

A mechanism for aragonite to post-aragonite transition in MCO3 (M = Ca, Sr and Ba) carbonates: evidence of a hidden metastable polymorph ﻿

Atomic contributions to zno mechanical properties at negative and positive pressures ﻿

Chemical Bond Formation and Rupture Processes: An Application of DFT-Chemical Pressure Approach ﻿

Chemical Pressure Maps of Molecules and Materials: Merging the Visual and Physical in Bonding Analysis ﻿

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

Chemical pressures in crystalline solids ﻿

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 ﻿

Computational Modeling of Tensile Stress Effects on the Structure and Stability of Prototypical Covalent and Layered Materials ﻿

Computer simulations of 3C-SiC under hydrostatic and non-hydrostatic stresses ﻿

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

Decoupled structural and non-collinear magnetic phase transitions in Fe(ND3)(2)PO4 ﻿

Denser than diamond: Ab initio search for superdense carbon allotropes ﻿

Determinación estructural de materiales policristalinos por difracción de rayos x y neutrones. Fosfatos laminares y tridimensionales ﻿

Determinación estructural por métodos de difracción de polvo cristalino de nuevos silicatos con metales en coordinación octaédrica ﻿

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

Highs and lows of bond lengths: Is there any limit? ﻿

Hysteresis and bonding reconstruction in the pressure-induced B3-B1 phase transition of 3C-SiC ﻿

Phosphorous acid and urea: Valuable sources of phosphorus and nitrogen in the hydrothermal synthesis of ammonium-thorium phosphates ﻿

Preference for a pressure-induced 3D structure after 1T-HfSe2 ﻿

Pressure and temperature stability boundaries of cubic sic polymorphs: a first-principles investigation ﻿

A mechanism for aragonite to post-aragonite transition in MCO3 (M = Ca, Sr and Ba) carbonates: evidence of a hidden metastable polymorph

Atomic contributions to zno mechanical properties at negative and positive pressures

Chemical Bond Formation and Rupture Processes: An Application of DFT-Chemical Pressure Approach

Chemical Pressure Maps of Molecules and Materials: Merging the Visual and Physical in Bonding Analysis

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

Chemical pressures in crystalline solids

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

Computational Modeling of Tensile Stress Effects on the Structure and Stability of Prototypical Covalent and Layered Materials

Computer simulations of 3C-SiC under hydrostatic and non-hydrostatic stresses

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

Decoupled structural and non-collinear magnetic phase transitions in Fe(ND3)(2)PO4

Denser than diamond: Ab initio search for superdense carbon allotropes

Determinación estructural de materiales policristalinos por difracción de rayos x y neutrones. Fosfatos laminares y tridimensionales

Determinación estructural por métodos de difracción de polvo cristalino de nuevos silicatos con metales en coordinación octaédrica

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

Highs and lows of bond lengths: Is there any limit?

Hysteresis and bonding reconstruction in the pressure-induced B3-B1 phase transition of 3C-SiC

Phosphorous acid and urea: Valuable sources of phosphorus and nitrogen in the hydrothermal synthesis of ammonium-thorium phosphates

Preference for a pressure-induced 3D structure after 1T-HfSe2

Pressure and temperature stability boundaries of cubic sic polymorphs: a first-principles investigation