Publikationen von Daniel Sebastiani
Alle Typen
Zeitschriftenartikel (65)
2003
Zeitschriftenartikel
625 (1-3), S. 283 - 288 (2003)
NMR chemical shifts in proton conducting crystals from first principles. Journal of Molecular Structure: Theochem 2002
Zeitschriftenartikel
366 (1-2), S. 134 - 140 (2002)
Is NMR the tool to characterize the structure of C-20 isomers? Chemical Physics Letters
Zeitschriftenartikel
106 (36), S. 9322 - 9334 (2002)
High-resolution solid-state NMR studies of imidazole-based proton conductors: Structure motifs and chemical exchange from H-1 NMR. The Journal of Physical Chemistry B
Zeitschriftenartikel
3 (8), S. 675 - 679 (2002)
Ab-initio study of NMR chemical shifts of water under normal and supercritical conditions. ChemPhysChem
Zeitschriftenartikel
147 (1-2), S. 707 - 710 (2002)
NMR chemical shifts in periodic systems from first principles. Computer Physics Communications Buchkapitel (1)
2003
Buchkapitel
Advances in Density Functional Based Modelling Techniques: Recent Extensions of the Car-Parrinello Approach. In: Quantum Medicinal Chemistry, S. 5 - 39 (Hg. Carloni, P.; Alber, F.). Wiley-VCH, Weinheim (2003)
Hochschulschrift - Habilitation (1)
2006
Hochschulschrift - Habilitation
Structure-property-relatioships of supramolecular systems from first principles calculations. Habilitation, Johannes Gutenberg-Universität, Mainz (2006)