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Steinbeck, Christoph (3)
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2019 (3)
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Conference Proceeding
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ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK)
(2019)
Schaub, Jonas
;
Fritsch, Sebastian
;
Neumann, Stefan
;
Steinbeck, Christoph
;
Zielesny, Achim
Towards a comprehensive open computational support cycle for Molecular Fragment Dissipative Particle Dynamics (DPD)
(2019)
Bänsch, Felix
;
Steinbeck, Christoph
;
Zielesny, Achim
ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK)
(2019)
Fritsch, Sebastian
;
Neumann, Stefan
;
Schaub, Jonas
;
Steinbeck, Christoph
;
Zielesny, Achim
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