Global Optimization of Transferable Molecular Step Potentials: A combination of stochastic and gradient-based approaches - Softcover
Synopsis
Thermodynamic properties of organic compounds can be estimated using the intermolecular forces between the building blocks. The building blocks for hydrocarbons and oxygenated compounds are grouped in a similar manner to UNIFAC and intermolecular potentials of these sites are optimized to minimize the error in vapor pressure estimation for a wide range of dataset. Different models for force field and optimization algorithms are compared using information criteria and the results for intermolecular potentials are tabulated for the most promising force models.
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Global Optimization of Transferable Molecular Step Potentials
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LAP LAMBERT Academic Publishing Feb 2010, 2010
ISBN 10: 3838347641
ISBN 13: 9783838347646
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Taschenbuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Thermodynamic properties of organic compounds can be estimated using the intermolecular forces between the building blocks. The building blocks for hydrocarbons and oxygenated compounds are grouped in a similar manner to UNIFAC and intermolecular potentials of these sites are optimized to minimize the error in vapor pressure estimation for a wide range of dataset. Different models for force field and optimization algorithms are compared using information criteria and the results for intermolecular potentials are tabulated for the most promising force models. 84 pp. Englisch. Seller Inventory # 9783838347646
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Global Optimization of Transferable Molecular Step Potentials
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ISBN 13: 9783838347646
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Global Optimization of Transferable Molecular Step Potentials
Published by
LAP LAMBERT Academic Publishing Feb 2010, 2010
ISBN 10: 3838347641
ISBN 13: 9783838347646
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Taschenbuch. Condition: Neu. This item is printed on demand - Print on Demand Titel. Neuware -Thermodynamic properties of organic compounds can be estimated using the intermolecular forces between the building blocks. The building blocks for hydrocarbons and oxygenated compounds are grouped in a similar manner to UNIFAC and intermolecular potentials of these sites are optimized to minimize the error in vapor pressure estimation for a wide range of dataset. Different models for force field and optimization algorithms are compared using information criteria and the results for intermolecular potentials are tabulated for the most promising force models.VDM Verlag, Dudweiler Landstraße 99, 66123 Saarbrücken 84 pp. Englisch. Seller Inventory # 9783838347646
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Global Optimization of Transferable Molecular Step Potentials : A combination of stochastic and gradient-based approaches
Published by
LAP LAMBERT Academic Publishing, 2010
ISBN 10: 3838347641
ISBN 13: 9783838347646
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Taschenbuch. Condition: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - Thermodynamic properties of organic compounds can be estimated using the intermolecular forces between the building blocks. The building blocks for hydrocarbons and oxygenated compounds are grouped in a similar manner to UNIFAC and intermolecular potentials of these sites are optimized to minimize the error in vapor pressure estimation for a wide range of dataset. Different models for force field and optimization algorithms are compared using information criteria and the results for intermolecular potentials are tabulated for the most promising force models. Seller Inventory # 9783838347646
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Global Optimization of Transferable Molecular Step Potentials | A combination of stochastic and gradient-based approaches
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ISBN 10: 3838347641
ISBN 13: 9783838347646
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Taschenbuch. Condition: Neu. Global Optimization of Transferable Molecular Step Potentials | A combination of stochastic and gradient-based approaches | Sinan Üçyi¿itler | Taschenbuch | 84 S. | Englisch | 2010 | LAP LAMBERT Academic Publishing | EAN 9783838347646 | Verantwortliche Person für die EU: preigu GmbH & Co. KG, Lengericher Landstr. 19, 49078 Osnabrück, mail[at]preigu[dot]de | Anbieter: preigu. Seller Inventory # 101280253
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Global Optimization of Transferable Molecular Step Potentials: A combination of stochastic and gradient-based approaches
Published by
LAP Lambert Academic Publishing, 2010
ISBN 10: 3838347641
ISBN 13: 9783838347646
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