Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS
- Location
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Deutsche Nationalbibliothek Frankfurt am Main
- Extent
-
Online-Ressource
- Language
-
Englisch
- Bibliographic citation
-
In: 10.1016/j.fluid.2024.114250
- Event
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Veröffentlichung
- (where)
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Aachen
- (who)
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Universitätsbibliothek der RWTH Aachen
- (when)
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2024
- Creator
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Müller, Simon
Nevolianis, Thomas
Garcia-Ratés, Miquel
Riplinger, Christoph
Leonhard, Kai
Smirnova, Irina
- DOI
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10.18154/RWTH-2024-11056
- URN
-
urn:nbn:de:101:1-2412100126070.459262548174
- Rights
-
Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
-
15.08.2025, 7:24 AM CEST
Data provider
This object is provided by:
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Associated
- Müller, Simon
- Nevolianis, Thomas
- Garcia-Ratés, Miquel
- Riplinger, Christoph
- Leonhard, Kai
- Smirnova, Irina
- Universitätsbibliothek der RWTH Aachen
Time of origin
- 2024
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Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS
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Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS
Globale Simulationen von N2 und CO
Globale Simulationen von N2 und CO
Synthesis of silica aerogels and their application as a drug delivery system
Two‐Step Autohydrolysis Pretreatment: Towards High Selective Full Fractionation of Wheat Straw
Extension of COSMO-RS for the prediction of the salt effect on liquid-liquid equilibria
Integrated computer-aided design of molecules and processes using COSMO-RS
COSMO-RS-based methods for improved modelling of complex chemical systems
A COSMO-RS based QSPR model for the lubricity of biodiesel and petrodiesel components
COSMO‐CAMPED – Solvent Design for an Extraction Distillation Considering Molecular, Process, Equipment, and Economic Optimization
General formulation of rovibrational kinetic energy operators and matrix elements in internal bond-angle coordinates using factorized Jacobians
Development of a surfactant-based in situ extraction from authentic feedstocks
Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS
Globale Simulationen von N2 und CO
Globale Simulationen von N2 und CO
Synthesis of silica aerogels and their application as a drug delivery system
Two‐Step Autohydrolysis Pretreatment: Towards High Selective Full Fractionation of Wheat Straw
Extension of COSMO-RS for the prediction of the salt effect on liquid-liquid equilibria
Integrated computer-aided design of molecules and processes using COSMO-RS
COSMO-RS-based methods for improved modelling of complex chemical systems
A COSMO-RS based QSPR model for the lubricity of biodiesel and petrodiesel components
COSMO‐CAMPED – Solvent Design for an Extraction Distillation Considering Molecular, Process, Equipment, and Economic Optimization
General formulation of rovibrational kinetic energy operators and matrix elements in internal bond-angle coordinates using factorized Jacobians