| Analysis of electronic transitions as the difference of electron attachment and detachment densities M Head-Gordon, AM Grana, D Maurice, CA White The Journal of Physical Chemistry 99 (39), 14261-14270, 1995 | 358 | 1995 |
| Do 1, 2-ethanediol and 1, 2-dihydroxybenzene present intramolecular hydrogen bond? M Mandado, AM Graña, RA Mosquera Physical Chemistry Chemical Physics 6 (18), 4391-4396, 2004 | 87 | 2004 |
| The transferability of the carbonyl group in aldehydes and ketones AM Graña, RA Mosquera The Journal of chemical physics 110 (14), 6606-6616, 1999 | 65 | 1999 |
| Aromaticity in spin-polarized systems: Can rings be simultaneously alpha aromatic and beta antiaromatic? M Mandado, AM Graña, I Pérez-Juste The Journal of chemical physics 129 (16), 2008 | 58 | 2008 |
| On the structures of the methanol trimer and their cooperative effects M Mandado, AM Graña, RA Mosquera Chemical physics letters 381 (1-2), 22-29, 2003 | 54 | 2003 |
| Ab initio calculations of singlet and triplet excited states of chlorine nitrate and nitric acid AM Grana, TJ Lee, M Head-Gordon The Journal of Physical Chemistry 99 (11), 3493-3502, 1995 | 52 | 1995 |
| Transferability of energies of atoms in organic molecules M Mandado, A Vila, AM Graña, RA Mosquera, J Cioslowski Chemical physics letters 371 (5-6), 739-743, 2003 | 45 | 2003 |
| Electron density characterisation of intermolecular interactions in the formaldehyde dimer and trimer A Vila, AM Graña, RA Mosquera Chemical physics 281 (1), 11-22, 2002 | 41 | 2002 |
| Transferability in aldehydes and ketones. II. Alkyl chains AM Graña, RA Mosquera The Journal of Chemical Physics 113 (4), 1492-1500, 2000 | 41 | 2000 |
| How does aromaticity rule the thermodynamic stability of hydroporphyrins? N Otero, S Fias, S Radenković, P Bultinck, AM Graña, M Mandado Chemistry–A European Journal 17 (11), 3274-3286, 2011 | 40 | 2011 |
| Approximate transferability in alkanols M Mandado, AM Graña, RA Mosquera Journal of Molecular Structure: THEOCHEM 584 (1-3), 221-234, 2002 | 34 | 2002 |
| AIM study on the influence of fluorine atoms on the alkyl chain PB Quiñónez, A Vila, AM Graña, RA Mosquera Chemical physics 287 (1-2), 227-236, 2003 | 31 | 2003 |
| Approximate transferability in alkanenitriles JL López, M Mandado, AM Graña, RA Mosquera International Journal of Quantum Chemistry 86 (2), 190-198, 2002 | 31 | 2002 |
| Blue‐shifting hydrogen bond in the benzene–benzene and benzene–naphthalene complexes JM Hermida‐Ramón, AM Graña Journal of Computational Chemistry 28 (2), 540-546, 2007 | 30 | 2007 |
| AIM charge density study of simple natural phenolic antioxidants M Mandado, AM Graña, RA Mosquera Chemical physics letters 400 (1-3), 169-174, 2004 | 29 | 2004 |
| Effect of protonation on the atomic and bond properties of the carbonyl group in aldehydes and ketones AM Graña, RA Mosquera Chemical physics 243 (1-2), 17-26, 1999 | 26 | 1999 |
| Electron density analysis on the protonation of nitriles JL López, AM Grana, RA Mosquera The Journal of Physical Chemistry A 113 (11), 2652-2657, 2009 | 22 | 2009 |
| A QTAIM‐based energy partitioning for understanding the physical origin of conformational preferences: Application to the Z effect in O= C‐X‐R and related units D Ferro‐Costas, N Otero, AM Grana, RA Mosquera Journal of Computational Chemistry 33 (32), 2533-2543, 2012 | 21 | 2012 |
| Theoretical study of the electronic structure of thiocumulenes I Pérez-Juste, AM Graña, L Carballeira, RA Mosquera The Journal of chemical physics 121 (21), 10447-10455, 2004 | 18 | 2004 |
| Ab Initio study of the structure and tautomerism of internally hydrogen-bonded aromatic carbonyls: salicylaldehyde and o-hydroxyacetophenone AM Graña, MA Ríos, J Rodríguez Structural Chemistry 2, 575-580, 1991 | 18 | 1991 |
