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Fachbereich Elektrotechnik, Maschinenbau und Technikjournalismus
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Comparison and optimization of fixed-point charge and polarizable force fields for the simulation of water-alkane systems
(2017)
Kraemer, Andreas
;
Pickard, Frank
;
Huang, Jing
;
Venable, Richard
;
Reith, Dirk
;
Kirschner, Karl
;
Pastor, Richard
;
Brooks, Bernard
Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects
(2019)
Krämer, Andreas
;
Pickard, Frank C.
;
Huang, Jing
;
Venable, Richard M.
;
Simmonett, Andrew C.
;
Reith, Dirk
;
Kirschner, Karl N.
;
Pastor, Richard W.
;
Brooks, Bernard R.
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