Publications of T. Murakhtina

Banyai, D. R.; Murakhtina, T.; Sebastiani, D.: NMR chemical shifts as a tool to analyze first principles molecular dynamics simulations in condensed phases: the case of liquid water. Magnetic Resonance in Chemistry 48 (S1), pp. S56 - S60 (2010)

Lee, Y. J.; Bingöl, B.; Murakhtina, T.; Sebastiani, D.; Meyer, W. H.; Wegner, G.; Spiess, H. W.: High-resolution solid-state NMR studies of poly(vinyl phosphonic acid) proton-conducting polymer: Molecular structure and proton dynamics. The Journal of Physical Chemistry B 111 (33), pp. 9711 - 9721 (2007)

Lee, Y. J.; Murakhtina, T.; Sebastiani, D.; Spiess, H. W.: H-2 solid-state NMR of mobile protons: It is not always the simple way. Journal of the American Chemical Society 129 (41), pp. 12406 - 12407 (2007)

Murakhtina, T.; Delle Site, L.; Sebastiani, D.: Vibrational frequencies of water adsorbed on (111) and (221) nickel surfaces from first principle calculations. ChemPhysChem 7 (6), pp. 1215 - 1219 (2006)

Murakhtina, T.; Heuft, J.; Meijer, E. J.; Sebastiani, D.: First principles and experimental H-1 NMR signatures of solvated ions: The case of HCI(aq). ChemPhysChem 7 (12), pp. 2578 - 2584 (2006)

Murakhtina, T.: Spectroscopic signatures from first principles calculations: from surface adsorbates to liquids and polymers. Dissertation, Johannes Gutenberg-Universität, Mainz (2007)