density functional theory

The electronic structure of gas phase croconic acid compared to the condensed phase: More insight into the hydrogen bond interaction
F. Bisti, A. Stroppa, F. Perrozzi, M. Donarelli, S. Picozzi, M. Coreno, M. De Simone, K. C. Prince, L. Ottaviano
Fingerprints of the hydrogen bond in the photoemission spectra of croconic acid condensed phase: An x-ray photoelectron spectroscopy and ab-initio study
F. Bisti, A. Stroppa, S. Picozzi, L. Ottaviano