{"product_id":"global-optimization-of-transferable-molecular-step-potentials-von-sinan-ucyigitler","title":"Global Optimization of Transferable Molecular Step Potentials","description":"\u003cp\u003eThermodynamic 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.\u003c\/p\u003e\u003cdiv class=\"aw-variant-hidden-subtitle-div\" id=\"aw-variant-subtitle-9783838347646\"\u003e\u003ch3\u003eA combination of stochastic and gradient-based approaches\u003c\/h3\u003e\u003c\/div\u003e","brand":"Autorenwelt Shop","offers":[{"title":"Softcover - 9783838347646","offer_id":39498893328477,"sku":"9783838347646","price":49.0,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0940\/0622\/files\/e03c3255-cca0-4e04-b46e-3a222b9743a4.jpg?v=1769839593","url":"https:\/\/shop.autorenwelt.de\/en\/products\/global-optimization-of-transferable-molecular-step-potentials-von-sinan-ucyigitler","provider":"Autorenwelt Shop","version":"1.0","type":"link"}