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Raabe, Gabriele (2020) Parameterization Approach for a Systematic Extension of the Hydrofluoroolefin Force Field to Fluorinated Butenes and Hydrochlorofluoroolefin Compounds. Journal of Chemical & Engineering Data, 65 (3) 1234-1242 doi:10.1021/acs.jced.9b00588

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Reference TypeJournal (article/letter/editorial)
TitleParameterization Approach for a Systematic Extension of the Hydrofluoroolefin Force Field to Fluorinated Butenes and Hydrochlorofluoroolefin Compounds
JournalJournal of Chemical & Engineering Data
AuthorsRaabe, GabrieleAuthor
Year2020 (March 12)Volume65
Issue3
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jced.9b00588Search in ResearchGate
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Mindat Ref. ID14565542Long-form Identifiermindat:1:5:14565542:8
GUID0
Full ReferenceRaabe, Gabriele (2020) Parameterization Approach for a Systematic Extension of the Hydrofluoroolefin Force Field to Fluorinated Butenes and Hydrochlorofluoroolefin Compounds. Journal of Chemical & Engineering Data, 65 (3) 1234-1242 doi:10.1021/acs.jced.9b00588
Plain TextRaabe, Gabriele (2020) Parameterization Approach for a Systematic Extension of the Hydrofluoroolefin Force Field to Fluorinated Butenes and Hydrochlorofluoroolefin Compounds. Journal of Chemical & Engineering Data, 65 (3) 1234-1242 doi:10.1021/acs.jced.9b00588
In(2020, March) Journal of Chemical & Engineering Data Vol. 65 (3) American Chemical Society (ACS)

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Valadez Huerta, Gerardo, Raabe, Gabriele (2020) Genetic Parameterization of Interfacial Force Fields Based on Classical Bulk Force Fields and Ab Initio Data: Application to the Methanol-ZnO Interfaces. Journal of Chemical Information and Modeling, 60 (12) 6033-6043 doi:10.1021/acs.jcim.0c01093
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Sadowski, Gabriele (2020) Special Issue Celebrating 30 Years of SAFT. Journal of Chemical & Engineering Data, 65 (12) 5627 doi:10.1021/acs.jced.0c00970
Morais, Ana Rita C., Simoni, Luke D., Shiflett, Mark B., Scurto, Aaron M. (2020) Viscosity and Density of a Polyol Ester Lubricating Oil Saturated with Compressed Hydrofluoroolefin Refrigerants. Journal of Chemical & Engineering Data, 65 (9) 4335-4346 doi:10.1021/acs.jced.0c00431
Raabe, Gabriele (2020) Purely Predictive Vapor–Liquid Equilibrium Properties of 3,3,4,4,4-Pentafluoro-1-butene (HFO-1345fz), 2,3,3,4,4,4-Hexafluoro-1-butene (HFO-1336yf), and trans-1-Chloro-2,3,3,3-tetrafluoropropene (HCFO-1224yd(E)) from Molecular Simulation. Journal of Chemical & Engineering Data, 65 (9) 4318-4325 doi:10.1021/acs.jced.0c00325
Reinhardt, Annika, Haarmann, Niklas, Sadowski, Gabriele, Enders, Sabine (2020) Application of PC-SAFT and DGT for the Prediction of Self-Assembly. Journal of Chemical & Engineering Data, 65 (12) 5897-5908 doi:10.1021/acs.jced.0c00781
Raabe, Gabriele (2024) Predictive Molecular Simulation Studies on the Vapor–Liquid Equilibria of 10 Binary Mixtures Containing Different Hydrofluoroolefins. Journal of Chemical & Engineering Data, 69 (11). doi:10.1021/acs.jced.4c00464
Bartolomeu, Rodrigo A. C., Lopes, Joyce T., Spera, Marcelle B. M., Franco, Luís F. M. (2020) Derivative Properties Data for Hydrogen–Ethylene Supercritical Mixtures Using a SAFT EoS and a SAFT Force Field. Journal of Chemical & Engineering Data, 65 (12) 5735-5742 doi:10.1021/acs.jced.0c00699
Lau, Sascha, Atakan, Burak (2020) Combined Thermogravimetric Determination of Activity Coefficients and Binary Diffusion Coefficients—A New Approach Applied to Ferrocene/n-Tetracosane Mixtures. Journal of Chemical & Engineering Data, 65 (3) 1211-1221 doi:10.1021/acs.jced.9b00578
Raabe, Gabriele (2015) Molecular Simulation Studies on the Vapor–Liquid Equilibria of the cis- and trans-HCFO-1233zd and the cis- and trans-HFO-1336mzz. Journal of Chemical & Engineering Data, 60 (8) 2412-2419 doi:10.1021/acs.jced.5b00286
 
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