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Schaub, Jonas (3)
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2018
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2019
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Westfälisches Institut für Gesundheit (3)
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ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK)
(2019)
Fritsch, Sebastian
;
Neumann, Stefan
;
Schaub, Jonas
;
Steinbeck, Christoph
;
Zielesny, Achim
PSMILES – A particle-based Molecular Structure Representation for Mesoscopic Simulation
(2018)
van den Broek, Karina
;
Daniel, Mirco
;
Epple, Matthias
;
Schaub, Jonas
;
Kuhn, Hubert
;
Zielesny, Achim
SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation
(2018)
van den Broek, Karina
;
Daniel, Mirco
;
Epple, Matthias
;
Kuhn, Hubert
;
Schaub, Jonas
;
Zielesny, Achim
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