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 | 509 | 2002 |
Interacting quantum atoms: a correlated energy decomposition scheme based on the quantum theory of atoms in molecules MA Blanco, A Martín Pendás, E Francisco Journal of chemical theory and computation 1 (6), 1096-1109, 2005 | 492 | 2005 |
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 | 465 | 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 | 442 | 1998 |
A Guided Tour Through Modern Charge Density Analysis C Gatti, P Macchi Modern Charge-Density Analysis, 1-78, 2011 | 284 | 2011 |
Bond paths as privileged exchange channels AM Pendás, E Francisco, MA Blanco, C Gatti Chemistry–A European Journal 13 (33), 9362-9371, 2007 | 278 | 2007 |
A molecular energy decomposition scheme for atoms in molecules E Francisco, A Martín Pendás, MA Blanco Journal of chemical theory and computation 2 (1), 90-102, 2006 | 237 | 2006 |
The nature of the hydrogen bond: A synthesis from the interacting quantum atoms picture A Martín Pendás, MA Blanco, E Francisco The Journal of chemical physics 125 (18), 184112, 2006 | 207 | 2006 |
Critic: a new program for the topological analysis of solid-state electron densities A Otero-de-la-Roza, MA Blanco, AM Pendás, V Luaña Computer Physics Communications 180 (1), 157-166, 2009 | 204 | 2009 |
Applications of 5S rDNA in Atlantic salmon, brown trout, and in Atlantic salmon x brown trout hybrid identification. AM Pendas, P Moran, JL Martinez, E Garcia-Vazquez Molecular Ecology 4 (2), 275-276, 1995 | 170 | 1995 |
Ions in crystals: the topology of the electron density in ionic materials. I. Fundamentals AM Pendás, A Costales, V Luaña Physical Review B 55 (7), 4275, 1997 | 149 | 1997 |
A classification of covalent, ionic, and metallic solids based on the electron density P Mori-Sánchez, AM Pendás, V Luaña Journal of the American Chemical Society 124 (49), 14721-14723, 2002 | 148 | 2002 |
Non-nuclear maxima of the electron density AM Pendás, MA Blanco, A Costales, PM Sánchez, V Luaña Physical review letters 83 (10), 1930, 1999 | 148 | 1999 |
Two-electron integrations in the quantum theory of atoms in molecules AM Pendás, MA Blanco, E Francisco The Journal of chemical physics 120 (10), 4581-4592, 2004 | 137 | 2004 |
Local compressibilities in crystals AM Pendás, A Costales, MA Blanco, JM Recio, V Luaña Physical Review B 62 (21), 13970, 2000 | 136 | 2000 |
Ions in crystals: The topology of the electron density in ionic materials. II. The cubic alkali halide perovskites V Luana, A Costales, AM Pendás Physical Review B 55 (7), 4285, 1997 | 132 | 1997 |
Chemical fragments in real space: definitions, properties, and energetic decompositions AM Pendás, MA Blanco, E Francisco Journal of computational chemistry 28 (1), 161-184, 2007 | 129 | 2007 |
Ions in crystals: the topology of the electron density in ionic materials. III. Geometry and ionic radii AM Pendás, A Costales, V Luana The Journal of Physical Chemistry B 102 (36), 6937-6948, 1998 | 117 | 1998 |
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 | 115 | 2001 |
Extension of the interacting quantum atoms (IQA) approach to B3LYP level density functional theory (DFT) P Maxwell, ÁM Pendás, PLA Popelier Physical Chemistry Chemical Physics 18 (31), 20986-21000, 2016 | 99 | 2016 |