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Mainberger, Sebastian, Kindlein, Moritz, Bezold, Franziska, Elts, Ekaterina, Minceva, Mirjana, Briesen, Heiko (2017) Deep eutectic solvent formation: a structural view using molecular dynamics simulations with classical force fields. Molecular Physics, 115. 1309-1321 doi:10.1080/00268976.2017.1288936

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Reference TypeJournal (article/letter/editorial)
TitleDeep eutectic solvent formation: a structural view using molecular dynamics simulations with classical force fields
JournalMolecular Physics
AuthorsMainberger, SebastianAuthor
Kindlein, MoritzAuthor
Bezold, FranziskaAuthor
Elts, EkaterinaAuthor
Minceva, MirjanaAuthor
Briesen, HeikoAuthor
Year2017 (June 18)Volume115
PublisherInforma UK Limited
DOIdoi:10.1080/00268976.2017.1288936Search in ResearchGate
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Mindat Ref. ID5982567Long-form Identifiermindat:1:5:5982567:8
GUID0
Full ReferenceMainberger, Sebastian, Kindlein, Moritz, Bezold, Franziska, Elts, Ekaterina, Minceva, Mirjana, Briesen, Heiko (2017) Deep eutectic solvent formation: a structural view using molecular dynamics simulations with classical force fields. Molecular Physics, 115. 1309-1321 doi:10.1080/00268976.2017.1288936
Plain TextMainberger, Sebastian, Kindlein, Moritz, Bezold, Franziska, Elts, Ekaterina, Minceva, Mirjana, Briesen, Heiko (2017) Deep eutectic solvent formation: a structural view using molecular dynamics simulations with classical force fields. Molecular Physics, 115. 1309-1321 doi:10.1080/00268976.2017.1288936
In(n.d.) Molecular Physics Vol. 115. Informa UK Limited

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Greiner, Maximilian, Elts, Ekaterina, Schneider, Julian, Reuter, Karsten, Briesen, Heiko (2014) Dissolution study of active pharmaceutical ingredients using molecular dynamics simulations with classical force fields. Journal of Crystal Growth, 405. 122-130 doi:10.1016/j.jcrysgro.2014.07.046
Elts, Ekaterina, Briesen, Heiko (2020) Capturing Crystal Shape Evolution from Molecular Simulations. Journal of Chemical Information and Modeling, 60 (12) 6109-6119 doi:10.1021/acs.jcim.0c00944
Elts, Ekaterina, Greiner, Maximilian, Briesen, Heiko (2017) In Silico Prediction of Growth and Dissolution Rates for Organic Molecular Crystals: A Multiscale Approach. Crystals, 7 (10) 288 doi:10.3390/cryst7100288
Elts, Ekaterina, Luxenburger, Frederik, Briesen, Heiko (2021) Influence of Monovalent Salts on α-Glycine Crystal Growth from Aqueous Solution: Molecular Dynamics Simulations at Constant Supersaturation Conditions. The Journal of Physical Chemistry B, 125 (42) 11732-11741 doi:10.1021/acs.jpcb.1c07168
Greiner, Maximilian, Choscz, Carsten, Eder, Cornelia, Elts, Ekaterina, Briesen, Heiko (2016) Multiscale modeling of aspirin dissolution: from molecular resolution to experimental scales of time and size. CrystEngComm, 18. 5302-5312 doi:10.1039/c6ce00710d
Ukrainczyk, Marko, Greiner, Maximilian, Elts, Ekaterina, Briesen, Heiko (2015) Simulating preferential sorption of tartrate on prismatic calcite surfaces. CrystEngComm, 17. 149-159 doi:10.1039/c4ce01447b
Banerjee, Soumik, Briesen, Heiko (2009) Molecular dynamics simulations of glycine crystal-solution interface. The Journal of Chemical Physics, 131 (18). 184705pp. doi:10.1063/1.3258650
Reilly, Anthony M., Briesen, Heiko (2012) Modeling crystal growth from solution with molecular dynamics simulations: Approaches to transition rate constants. The Journal of Chemical Physics, 136 (3). 34704pp. doi:10.1063/1.3677371
Kneller, Gerald R. (2017) General framework for constraints in molecular dynamics simulations. Molecular Physics, 115. 1352-1361 doi:10.1080/00268976.2017.1297503
Kindlein, M, Greiner, M, Elts, E, Briesen, H (2015) Interactions between phospholipid head groups and a sucrose crystal surface at the cocoa butter interface. Journal of Physics D: Applied Physics, 48. 384002pp. doi:10.1088/0022-3727/48/38/384002
Alhadid, Ahmad, Jandl, Christian, Mokrushina, Liudmila, Minceva, Mirjana (2022) Cocrystal Formation in Choline Chloride Deep Eutectic Solvents. Crystal Growth & Design, 22 (3) 1933-1942 doi:10.1021/acs.cgd.1c01477
 
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