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ForConX: A forcefield conversion tool based on XML.
Lesch V, Diddens D, Bernardes CE, Golub B, Dequidt A, Zeindlhofer V, Sega M, Schröder C. Lesch V, et al. Among authors: schroder c. J Comput Chem. 2017 Apr 5;38(9):629-638. doi: 10.1002/jcc.24708. J Comput Chem. 2017. PMID: 28211110
Polarizable MD simulations of ionic liquids: How does additional charge transfer change the dynamics?
Schröder C , Lyons A , Rick SW . Schröder C , et al. Phys Chem Chem Phys. 2020 Jan 2;22(2):467-477. doi: 10.1039/c9cp05478b. Phys Chem Chem Phys. 2020. PMID: 31782440
However, as polarizable MD simulations are also capable of explaining the reduced Coulomb interaction between the ionic liquid ions [C. Schroder, Phys. Chem. Chem. Phys., 2012, 14, 3089], the question arises, if the reduced Coulomb interactions are due to a charge t …
However, as polarizable MD simulations are also capable of explaining the reduced Coulomb interaction between the ionic liquid ions [C …
1,206 results