Publikationen

Canto, A. M.T.M. d.; Robalo, J. R.; Santos, P. D.; Carvalho, A. J. P.; Ramalho, J.P. P.; Loura, L. M.S.: Diphenylhexatriene membrane probes DPH and TMA-DPH: a comparative molecular dynamics simulation study. Biochimica et Biophysica Acta - Biomembranes 1858 (11), S. 2647 - 2661 (2016)

Derakhshani-Molayousefi, M.; Kashefolgheta, S.; Eilers, J. E.; Lu, Y.: Computational replication of the primary isotope dependence of secondary kinetic isotope effects in solution hydride transfer reactions: supporting the isotopically different tunneling ready state conformations. The Journal of Physical Chemistry A 120 (25), S. 4277 - 4284 (2016)

Luo, C.; Kröger, M.; Sommer, J.-U.: Entanglements and crystallization of concentrated polymer solutions: molecular dynamics simulations. Macromolecules 49 (23), S. 9017 - 9025 (2016)

Mousavi, M. P. S.; Kashef Ol Gheta, S.; Stein, A.; Bühlmann, P.: Electrochemical stability of quaternary ammonium cations: an experimental and computational study. Journal of the Electrochemical Society 163 (2), S. H74 - H80 (2016)

Mousavi, M. P. S.; Wilson, B. E.; Kashefolgheta, S.; Anderson, E.; He, S.; Bühlmann, P.; Stein, A.: Ionic liquids as electrolytes for electrochemical double-layer capacitors: structures that optimize specific energy. ACS Applied Materials and Interfaces 8 (5), S. 3396 - 3406 (2016)