Publications of Daniel Sebastiani
All genres
Journal Article (65)
61.
Journal Article
625 (1-3), pp. 283 - 288 (2003)
NMR chemical shifts in proton conducting crystals from first principles. Journal of Molecular Structure: Theochem 62.
Journal Article
366 (1-2), pp. 134 - 140 (2002)
Is NMR the tool to characterize the structure of C-20 isomers? Chemical Physics Letters 63.
Journal Article
106 (36), pp. 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 64.
Journal Article
3 (8), pp. 675 - 679 (2002)
Ab-initio study of NMR chemical shifts of water under normal and supercritical conditions. ChemPhysChem 65.
Journal Article
147 (1-2), pp. 707 - 710 (2002)
NMR chemical shifts in periodic systems from first principles. Computer Physics Communications Book Chapter (1)
66.
Book Chapter
Advances in Density Functional Based Modelling Techniques: Recent Extensions of the Car-Parrinello Approach. In: Quantum Medicinal Chemistry, pp. 5 - 39 (Eds. Carloni, P.; Alber, F.). Wiley-VCH, Weinheim (2003)
Thesis - Habilitation (1)
67.
Thesis - Habilitation
Structure-property-relatioships of supramolecular systems from first principles calculations. Habilitation, Johannes Gutenberg-Universität, Mainz (2006)