List of works - E. San Fabián

Analysis of scanning tunneling spectroscopy experiments from first principles: the test case of C60 adsorbed on Au(111)

scientific article published on 01 April 2003

Are Electron Affinity and Ionization Potential Intrinsic Parameters to Predict the Electron or Hole Acceptor Character of Amorphous Molecular Materials?

scientific article published in June 2017

Asymmetry between absorption and photoluminescence line shapes of TPD: spectroscopic fingerprint of the twisted biphenyl core.

scientific article

Calculation of H-H potential energies and fusion rates in PdxH2 clusters (x=2,4)

scientific article published on 01 September 1990

Can model Hamiltonians describe the electron-electron interaction in π-conjugated systems? PAH and graphene.

scientific article

Cyclobutadiene automerization and rotation of ethylene: energetics of the barriers by using spin-polarized wave functions

scientific article published on 10 May 2014

Density-functional formalism and the two-body problem

scientific article published on 01 August 1991

Herringbone Pattern and CH-π Bonding in the Crystal Architecture of Linear Polycyclic Aromatic Hydrocarbons

scientific article published on 22 September 2016

Improvements in DFT Calculations of Spin-Spin Coupling Constants

scientific article published on November 2014

Intra- and intermolecular dispersion interactions in [N]cycloparaphenylenes: do they influence their structural and electronic properties?

scientific article published on 18 March 2015

One step-synthesis of highly dispersed iron species into silica for propylene epoxidation with dioxygen

Performance of correlation functionals inab initiochemisorption cluster-model calculations: Alkali metals on Si(111)

scientific article published on 01 October 1995

Possibility of finding reliable solid-state tight-binding parameters for the Si-N bond through quantum-chemistry calculations

scientific article published on 01 January 1989

Prediction of the secondary structure and functional sites of major histocompatibility complex molecules

scientific article published on 01 April 1990

Spectroscopic constants of diatomic molecules computed correcting Hartree-Fock or general-valence-bond potential-energy curves with correlation-energy functionals

scientific article published on 01 April 1992

The role of topology in organic molecules: origin and comparison of the radical character in linear and cyclic oligoacenes and related oligomers.

scientific article published on 26 February 2018

Transport and Optical Gaps in Amorphous Organic Molecular Materials

scientific article published on 09 February 2019

List of works by E. San Fabián