j. m. recio
j. m. recio
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First-principles study of the rocksalt–cesium chloride relative phase stability in alkali halides
M Flórez, JM Recio, E Francisco, MA Blanco, AM Pendás
Physical Review B 66 (14), 144112, 2002
Thermodynamical properties of solids from microscopic theory: applications to MgF2 and Al2O3
MA Blanco, AM Pendás, E Francisco, JM Recio, R Franco
Journal of Molecular Structure: THEOCHEM 368, 245-255, 1996
Quantum-mechanical study of thermodynamic and bonding properties of MgF2
E Francisco, JM Recio, MA Blanco, AM Pendás, A Costales
The Journal of Physical Chemistry A 102 (9), 1595-1601, 1998
High-pressure polymorphs of anatase TiO 2
T Arlt, M Bermejo, MA Blanco, L Gerward, JZ Jiang, JS Olsen, JM Recio
Physical Review B 61 (21), 14414, 2000
Compressibility of the high-pressure rocksalt phase of ZnO
JM Recio, MA Blanco, V Luana, R Pandey, L Gerward, JS Olsen
Physical Review B 58 (14), 8949, 1998
Local compressibilities in crystals
AM Pendás, A Costales, MA Blanco, JM Recio, V Luaña
Physical Review B 62 (21), 13970, 2000
First principles study of polyatomic clusters of AlN, GaN, and InN. 1. Structure, stability, vibrations, and ionization
AK Kandalam, R Pandey, MA Blanco, A Costales, JM Recio, JM Newsam
The Journal of Physical Chemistry B 104 (18), 4361-4367, 2000
Compressibility and thermal expansion of cubic silicon nitride
JZ Jiang, H Lindelov, L Gerward, K Ståhl, JM Recio, P Mori-Sanchez, ...
Physical Review B 65 (16), 161202, 2002
Theoretical explanation of the uniform compressibility behavior observed in oxide spinels
JM Recio, R Franco, AM Pendás, MA Blanco, L Pueyo, R Pandey
Physical Review B 63 (18), 184101, 2001
Atomistic simulation study of spinel oxides: zinc aluminate and zinc gallate
R Pandey, JD Gale, SK Sampath, JM Recio
Journal of the American Ceramic Society 82 (12), 3337-3341, 1999
Density functional study of chromium oxide clusters: Structures, bonding, vibrations, and stability
S Veliah, K Xiang, R Pandey, JM Recio, JM Newsam
The Journal of Physical Chemistry B 102 (7), 1126-1135, 1998
Molecular orbital calculations on (MgO)n and (MgO)n+ clusters (n=1–13)
JM Recio, R Pandey, A Ayuela, AB Kunz
The Journal of chemical physics 98 (6), 4783-4792, 1993
Pressure-induced B1-B2 phase transition in alkali halides: General aspects from first-principles calculations
AM Pendás, V Luana, JM Recio, M Flórez, E Francisco, MA Blanco, ...
Physical Review B 49 (5), 3066, 1994
Quantum-mechanical analysis of the equation of state of anatase TiO 2
M Calatayud, P Mori-Sánchez, A Beltrán, AM Pendás, E Francisco, ...
Physical Review B 64 (18), 184113, 2001
Periodic DFT Study of the Structural and Electronic Properties of Bulk CoAl2O4 Spinel
F Tielens, M Calatayud, R Franco, JM Recio, J Pérez-Ramírez, C Minot
The Journal of Physical Chemistry B 110 (2), 988-995, 2006
Rigorous characterization of oxygen vacancies in ionic oxides
P Mori-Sanchez, JM Recio, B Silvi, C Sousa, AM Pendás, V Luaña, F Illas
Physical Review B 66 (7), 075103, 2002
Theoretical compressibilities of high-pressure ZnTe polymorphs
R Franco, P Mori-Sánchez, JM Recio, R Pandey
Physical Review B 68 (19), 195208, 2003
Effects of a quantum‐mechanical lattice on the electronic structure and dd spectrum of the (MnF6)4− cluster in Mn2+ :KZnF3
V Luaña, M Bermejo, M Flórez, JM Recio, L Pueyo
The Journal of Chemical Physics 90 (11), 6409-6421, 1989
Quantum-mechanical description of ions in crystals: Electronic structure of magnesium oxide
V Luaña, JM Recio, L Pueyo
Physical Review B 42 (3), 1791, 1990
First principles study of polyatomic clusters of AlN, GaN, and InN. 2. Chemical bonding
A Costales, AK Kandalam, A Martín Pendás, MA Blanco, JM Recio, ...
The Journal of Physical Chemistry B 104 (18), 4368-4374, 2000
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