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Luana, V
881  Ergebnisse:
Personensuche X
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1

Treatment of first-principles data for predictive quasiharm..:

Otero-de-la-Roza, A. ; Luaña, V.
Physical Review B.  84 (2011)  2 - p. , 2011
Link: https://doi.org/10.1103/..
 
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2

Topological partition of the crystal elastic constants:

Otero-de-la-Roza, A. ; Luaña, V.
Acta Crystallographica Section A Foundations of Crystallography.  67 (2011)  a1 - p. C454-C454 , 2011
Link: https://doi.org/10.1107/..
 
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3

Density functional calculation for the first and second har..:

Reshak, Ali H. ; Ouahrani, T. ; Khenata, R....
Computational Materials Science.  50 (2011)  3 - p. 886-892 , 2011
Link: https://doi.org/10.1016/..
 
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4

Accurate thermodynamics in the quasiharmonic approximation:

Otero-de-la-Roza, A. ; Luaña, V.
Acta Crystallographica Section A Foundations of Crystallography.  67 (2011)  a1 - p. C502-C503 , 2011
Link: https://doi.org/10.1107/..
 
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5

Structural and thermodynamic properties of SbAsGa2 and SbPG..:

Ouahrani, T. ; Otero-de-la-Roza, A. ; Khenata, R...
Computational Materials Science.  47 (2010)  3 - p. 655-659 , 2010
Link: https://doi.org/10.1016/..
 
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6

Ab-initio study of the structural, linear and nonlinear opt..:

Ouahrani, T. ; Reshak, Ali H. ; Khenata, R....
Journal of Solid State Chemistry.  183 (2010)  1 - p. 46-51 , 2010
Link: https://doi.org/10.1016/..
 
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7

First-principles study of structural, electronic, linear an..:

Ouahrani, T. ; Reshak, A. H. ; Otero de la Roza, A....
The European Physical Journal B.  72 (2009)  3 - p. 361-366 , 2009
Link: https://doi.org/10.1140/..
 
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8

GIBBS: isothermal-isobaric thermodynamics of solids from en..:

Blanco, M.A. ; Francisco, E. ; Luaña, V.
Computer Physics Communications.  158 (2004)  1 - p. 57-72 , 2004
Link: https://doi.org/10.1016/..
 
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9

Curvature of interatomic surfaces. II. Origin and systemati..:

Pendás, A. Martı́n ; Luaña, V.
The Journal of Chemical Physics.  119 (2003)  15 - p. 7643-7650 , 2003
Link: https://doi.org/10.1063/..
 
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10

Curvature of interatomic surfaces. I. Fundamentals:

Pendás, A. Martı́n ; Luaña, V.
The Journal of Chemical Physics.  119 (2003)  15 - p. 7633-7642 , 2003
Link: https://doi.org/10.1063/..
 
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11

Hirshfeld surfaces as approximations to interatomic surface:

Pendás, A. Martı́n ; Luaña, V. ; Pueyo, L...
The Journal of Chemical Physics.  117 (2002)  3 - p. 1017-1023 , 2002
Link: https://doi.org/10.1063/..
 
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12

Microscopic analysis of the compressibility in the spinel p..:

Mori-Sánchez, P ; Franco, R ; Pendás, A. Martín..
Europhysics Letters (EPL).  54 (2001)  6 - p. 760-766 , 2001
Link: https://doi.org/10.1209/..
 
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13

Strategies for determining and usingab initiointerionic pot..:

Blanco, Miguel A. ; Recio, J. M. ; Francisco, E....
Radiation Effects and Defects in Solids.  151 (1999)  1-4 - p. 223-228 , 1999
Link: https://doi.org/10.1080/..
 
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14

Quantum mechanical cluster calculations of ionic materials:..:

Blanco, Miguel A. ; Penda´s, A. Marti´n ; Luan˜a, V.
Computer Physics Communications.  103 (1997)  2-3 - p. 287-302 , 1997
Link: https://doi.org/10.1016/..
 
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15

Theoretical study of (NaCl)n clusters:

Ayuela, A ; López, J.M ; Alonso, J.A.
Physica B: Condensed Matter.  212 (1995)  4 - p. 329-342 , 1995
Link: https://doi.org/10.1016/..
 
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