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
356 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
84 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 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 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
51 2008 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
44 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
42 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 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
30 2004 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
27 2003 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
25 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
21 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
19 2012 QTAIM interpretation of the basicity of substituted anilines AM Graña, JM Hermida-Ramón, RA Mosquera
Chemical physics letters 412 (1-3), 106-109, 2005
18 2005 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