Ángel Martín Pendás

Prof. Ángel Martín Pendás

Universidad de Oviedo
orcid

Research Focus & Metrics

Academic Career Length

36Years (1991-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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25 August 2005 in Journal of Chemical Theory and Computation
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Journal Article
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MBM. A. Blanco
M. A. Blanco
Ángel Martín PendásÁngel Martín Pendás
Ángel Martín Pendás
EFEvelio Francisco
Evelio Francisco

31 October 2002 in Physical Review B
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Journal Article
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MFM. Flórez
M. Flórez
J. Manuel RecioJ. Manuel Recio
J. Manuel Recio
EFEvelio Francisco
Evelio Francisco
MBM. A. Blanco
M. A. Blanco
Ángel Martín PendásÁngel Martín Pendás
Ángel Martín Pendás
We present a detailed investigation of observable properties associated with the relative stability of the rocksalt (B1) and cesium chloride (B2) phases in the AX (A=Li, Na, K, Rb, Cs; X=F, Cl, Br, I) crystal family. Thermodynamic B1→B2 transition pressures and ΔY=Y(B2)−Y(B1) differences in total energies, volumes, and bulk moduli at zero and transition pressures are computed following a localized Hartree-Fock method. The arrangement of the data in clear trends is shown to be mainly dominated by the cation atomic number. This behavior is well interpreted in terms of a variety of microscopic arguments that emerge from (i) the evaluation of the energy Hessian at the B1 and B2 points and (ii) the decomposition of the energy and pressure in anionic and cationic classical and quantum-mechanical contributions.

1 February 1998 in The Journal of Physical Chemistry A
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Journal Article
Closed access
EFEvelio Francisco
Evelio Francisco
J. Manuel RecioJ. Manuel Recio
J. Manuel Recio
MBM. A. Blanco
M. A. Blanco
Ángel Martín PendásÁngel Martín Pendás
Ángel Martín Pendás
Aurora Costales CastroAurora Costales Castro
Aurora Costales Castro

1 January 2009 in Computer Physics Communications
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Journal Article
Closed access
AOA. Otero-De-La-Roza
A. Otero-De-La-Roza
MBM.A. Blanco
M.A. Blanco
Ángel Martín PendásÁngel Martín Pendás
Ángel Martín Pendás
VLVíctor Luaña
Víctor Luaña

8 November 2007 in Chemistry – A European Journal
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Journal Article
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Ángel Martín PendásÁngel Martín Pendás
Ángel Martín Pendás
EFEvelio Francisco
Evelio Francisco
MBMiguel A. Blanco
Miguel A. Blanco
Carlo GattiCarlo Gatti
Carlo Gatti

2 December 2005 in Journal of Chemical Theory and Computation
Verified
Journal Article
Closed access
EFEvelio Francisco
Evelio Francisco
Ángel Martín PendásÁngel Martín Pendás
Ángel Martín Pendás
MBM. A. Blanco
M. A. Blanco