Three-body effects in triplets of capped gold nanocrystals. Molecular physics, (115)9/12:1031-1040, Taylor & Francis, 2017. [PUMA: ubs_40084 unibibliografie ubs_10004 ubs_20014 ubs_30058 ubs_10008 ubs_30136 ubs_20005 ubs_40216 wos mult]
Effective potentials between gold nano crystals - functional dependence on temperature. Molecular simulation, (41)14:1153-1158, Taylor & Francis, 2015. [PUMA: unibibliografie ubs_10004 ubs_20014 ubs_30058 ubs_10008 ubs_30136 ubs_20005 wos mult]
Atomistic Simulations of Supramolecular Complexes in Aqueous Solution - Hünfeld. 2015. [PUMA: ubs_40084 unibibliografie ubs_10004 ubs_40083 ubs_30058 ubs_20005 hp mult]
Untersuchung der Aggregation von Perylenderivaten in wässriger Lösung mittels atomistischer Simulationen. 2015. [PUMA: ubs_40084 unibibliografie ubs_10004 ubs_40083 ubs_30058 ubs_20005 hp mult]
Atomistic Simulations of Supramolecular Complexes in Aqueous Solution - Athen. 2015. [PUMA: ubs_40084 unibibliografie ubs_10004 ubs_40083 ubs_30058 ubs_20005 hp mult]
Molecular Dynamics Simulations of Supramolecular Complexes in Aqueous Solution. 2015. [PUMA: ubs_40084 unibibliografie ubs_10004 ubs_40083 ubs_30058 ubs_20005 hp mult]
MD of Supramolecular Complexes. 2015. [PUMA: ubs_40084 unibibliografie ubs_10004 ubs_40083 ubs_30058 ubs_20005 hp mult]
Thermophysical properties of glyceline-water mixtures investigated by molecular modelling. Physical Chemistry Chemical Physics, (21)12:6467-6476, RSC, 2019. [PUMA: ubs_40084 unibibliografie ubs_10004 ubs_10003 ubs_30187 ubs_20003 ubs_30058 ubs_20005 wos mult ubs_40353]
Evaluation Research for Study Success Requirements ITT 2014/15. 2019. [PUMA: unibibliografie ubs_10004 ubs_30058 ubs_20005 ubs_10016 mult darus]
Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data. 2024. [PUMA: ubs_40084 unibibliografie ubs_10004 ubs_20023 ubs_30058 ubs_30201 ubs_10018 ubs_20005 mult darus]
Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling. 2024. [PUMA: ubs_40084 ubs_20023 edit ubs_20005 unibibliografie ubs_10004 ubs_30165 ubs_30058 ubs_30201 ubs_10018 ubs_20019 mult darus ubs_10021]
Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling. 2024. [PUMA: ubs_40084 ubs_20023 ubs_20005 unibibliografie ubs_10004 ubs_30165 ubs_30058 ubs_30201 ubs_10018 ubs_20019 mult darus ubs_10021]
Supporting Information: Solute Configurations in n-hexane, cyclohexane and benzene. 2021. [PUMA: ubs_40084 ubs_20023 ubs_40081 ubs_20005 unibibliografie ubs_10004 ubs_30056 ubs_30058 ubs_30201 ubs_10018 mult darus]
Modeling Subsurface Hydrogen Storage With Transport Properties From Entropy Scaling Using the PC-SAFT Equation of State. Water resources research, (58)4:e2021WR030885, Wiley, 2022. [PUMA: ubs_20002 ubs_40040 ubs_40084 ubs_20005 unibibliografie ubs_10004 oa ubs_10002 ubs_30058 ubs_30028 wos mult]
Interpretation of cytochrome P450 monooxygenase kinetics by modeling of thermodynamic activity. Journal of inorganic biochemistry, (183):172-178, Elsevier, 2018. [PUMA: unibibliografie ubs_10004 ubs_10003 ubs_30187 ubs_20003 ubs_30058 ubs_40316 ubs_20005 wos mult ubs_40353]
Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction'. 2022. [PUMA: ubs_40084 unibibliografie ubs_10004 ubs_20006 ubs_30058 ubs_20005 ubs_30060 mult darus]
Integration of a chemical process model in a power plant modelling tool for the simulation of an amine based CO2 scrubber. In John Patrick (Eds.), 7th European Conference on Coal Research and its Applications, 88, 12:2481-2488, Elsevier, Amsterdam, 2009. [PUMA: ubs_30043 unibibliografie ubs_10004 ubs_30058 ubs_40070 liste ubs_20004 ubs_20005 mult]
Calculation of binding affinities for linear alcohols to alpha-cyclodextrin by twin-system enveloping distribution sampling simulations. Fluid phase equilibria, (422):1-17, Elsevier, 2016. [PUMA: ubs_40084 unibibliografie ubs_10004 ubs_40083 ubs_30058 ubs_20005 wos mult]
Particle methods in natural science and engineering. European Physical Journal Special Topics, (227)14:1493-1499, Springer, 2019. [PUMA: ubs_40073 ubs_40084 ubs_20003 ubs_20004 ubs_20005 ubs_40065 unibibliografie ubs_10004 ubs_10003 oa ubs_30047 ubs_30058 ubs_40129 ubs_30039 ubs_10005 ubs_20008 wos mult ubs_30086]
Generalized Fickian approach for phase separating fluid mixtures in Smoothed Particle Hydrodynamics. Computers & Fluids, (179):78-90, Elsevier Science, 2019. [PUMA: ubs_30054 ubs_40084 unibibliografie ubs_10004 ubs_30058 ubs_40080 ubs_20005 wos mult]