Items where Author is "Küçük, Sami Emre"

Article

Oruç, Tuğçe and Küçük, Sami Emre and Sezer, Deniz (2016) Lipid bilayer permeation of aliphatic amine and carboxylic acid drugs: rates of insertion, translocation and dissociation from MD simulations. Physical Chemistry Chemical Physics, 18 (35). pp. 24511-24525. ISSN 1463-9076 (Print) 1463-9084 (Online)

Küçük, Sami Emre and Sezer, Deniz (2016) Multiscale computational modeling of C-13 DNP in liquids. Physical Chemistry Chemical Physics, 18 (14). pp. 9353-9357. ISSN 1463-9076 (Print) 1463-9084 (Online)

Küçük, Sami Emre and Biktagirov, Timur and Sezer, Deniz (2015) Carbon and proton overhauser DNP from MD simulations and ab initio calculations: TEMPOL in acetone. Physical Chemistry Chemical Physics, 17 (38). pp. 24874-24884. ISSN 1463-9076 (Print) 1463-9084 (Online)

Küçük, Sami Emre and Neugebauer, Petr and Prisner, Thomas F. and Sezer, Deniz (2015) Molecular simulations for dynamic nuclear polarization in liquids: a case study of TEMPOL in acetone and DMSO. Physical Chemistry Chemical Physics, 17 (9). pp. 6618-6628. ISSN 1463-9076 (Print) 1463-9084 (Online)

Thesis

Küçük, Sami Emre (2016) Computational modeling of overhauser dynamic nuclear polarization in liquids. [Thesis]