{"product_id":"supercomputer-and-chemistry-2-debis-workshop-1990-ottobrunn-november-19-20-1990-von-uwe-harms-hrsg","title":"Supercomputer and Chemistry 2","description":"\u003cp\u003eSupercomputing and networking are of great importance in the\u003c\/p\u003e\u003cp\u003e            field of       computer chemistry. In this volume some fundamen-\u003c\/p\u003e\u003cp\u003e            tals are discussed; new   results are presented in the paral-\u003c\/p\u003e\u003cp\u003e            lelization of a direct SCF on           workstations and of several\u003c\/p\u003e\u003cp\u003e            application programs, in the long time dynamics of proteins\u003c\/p\u003e\u003cp\u003e            and for the IGLO method. A general overview of quantum          che-\u003c\/p\u003e\u003cp\u003e            mical calculations of small molecules is included. That                com-\u003c\/p\u003e\u003cp\u003e            putational methods complement experimental approaches,                 is\u003c\/p\u003e\u003cp\u003e            demonstrated with short-lived intermediates (carbocations,\u003c\/p\u003e\u003cp\u003e            alkyl     radicals) and the 3-D-structure of saruplase-domains.\u003c\/p\u003e\u003cdiv class=\"aw-variant-hidden-subtitle-div\" id=\"aw-variant-subtitle-9783540544111\"\u003e\u003ch3\u003edebis Workshop 1990 Ottobrunn, November 19–20, 1990\u003c\/h3\u003e\u003c\/div\u003e","brand":"Libri","offers":[{"title":"Softcover - 9783540544111","offer_id":39427409641565,"sku":"9783540544111","price":53.49,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0940\/0622\/files\/53552219-1a40-48cc-bd46-725058125aa8.jpg?v=1750136770","url":"https:\/\/shop.autorenwelt.de\/products\/supercomputer-and-chemistry-2-debis-workshop-1990-ottobrunn-november-19-20-1990-von-uwe-harms-hrsg","provider":"Autorenwelt Shop","version":"1.0","type":"link"}