Publicacións nas que colabora con ANA MARIA GRAÑA RODRIGUEZ (16)

2021

  1. Teaching quantum chemistry in times of pandemic

    EDULEARN21 Proceedings: 13th International Conference on Education and New Learning Technologies (July 5th-6th, 2021, Online)

2016

  1. Study of electron transport in polybenzenoid chains covalently attached to gold atoms through unsaturated methylene linkers

    9TH CONGRESS ON ELECTRONIC STRUCTURE: PRINCIPLES AND APPLICATIONS (ESPA 2014)

2015

  1. Study of electron transport in polybenzenoid chains covalently attached to gold atoms through unsaturated methylene linkers

    Theoretical Chemistry Accounts, Vol. 134, Núm. 2

2011

  1. How does aromaticity rule the thermodynamic stability of hydroporphyrins?

    Chemistry - A European Journal, Vol. 17, Núm. 11, pp. 3274-3286

2010

  1. An Electron Density-Based Approach to the Origin of Stacking Interactions

    Quantum Biochemistry (Wiley-VCH), pp. 365-387

2008

  1. Aromaticity in spin-polarized systems: Can rings be simultaneously alpha aromatic and beta antiaromatic?

    Journal of Chemical Physics, Vol. 129, Núm. 16

2005

  1. Charge density analysis of some processes involving intramolecular hydrogen transfer

    Tetrahedron, Vol. 61, Núm. 4, pp. 819-829

2004

  1. AIM charge density study of simple natural phenolic antioxidants

    Chemical Physics Letters, Vol. 400, Núm. 1-3, pp. 169-174

  2. AIM interpretation of the acidity of phenol derivatives

    Chemical Physics Letters, Vol. 386, Núm. 4-6, pp. 454-459

  3. Do 1,2-ethanediol and 1,2-dihydroxybenzene present intramolecular hydrogen bond?

    Physical Chemistry Chemical Physics, Vol. 6, Núm. 18, pp. 4391-4396

2003

  1. On the structures of the methanol trimer and their cooperative effects

    Chemical Physics Letters, Vol. 381, Núm. 1-2, pp. 22-29

  2. Transferability of energies of atoms in organic molecules

    Chemical Physics Letters, Vol. 371, Núm. 5-6, pp. 739-743

2002

  1. Approximate transferability in alkanenitriles

    International Journal of Quantum Chemistry, Vol. 86, Núm. 2, pp. 190-198

  2. Approximate transferability in alkanols

    Journal of Molecular Structure: THEOCHEM, Vol. 584, Núm. 1-3, pp. 221-234

  3. On the effects of electron correlation and conformational changes on the distortion of the charge distribution in alkyl chains

    Chemical Physics Letters, Vol. 355, Núm. 5-6, pp. 529-537

2001

  1. An AIM study on the effects of position isomery in long-chain alkanols

    Journal of Molecular Structure: THEOCHEM, Vol. 572, Núm. 1-3, pp. 223-233