Publikationen von S. Komin
Alle Typen
Zeitschriftenartikel (3)
1.
Zeitschriftenartikel
5 (6), S. 1490 - 1498 (2009)
Optimization of Capping Potentials for Spectroscopic Parameters in Hybrid Quantum Mechanical/Mechanical Modeling Calculations. Journal of Chemical Theory and Computation 2.
Zeitschriftenartikel
111 (19), S. 5225 - 5232 (2007)
NMR solvent shifts of adenine in aqueous solution from hybrid QM/MM molecular dynamics simulations. The Journal of Physical Chemistry B 3.
Zeitschriftenartikel
8 (36), S. 4182 - 4188 (2006)
Diffusion in binary gas mixtures studied by NMR of hyperpolarized gases and molecular dynamics simulations. Physical Chemistry Chemical Physics Hochschulschrift - Doktorarbeit (1)
4.
Hochschulschrift - Doktorarbeit
Spectroscopic properties from Hybrid QM/MM Molecular Dynamics Simulation. Dissertation, Johannes Gutenberg Universität, Mainz (2009)