{"product_id":"supercomputer-and-chemistry-2-debis-workshop-1990-ottobrunn-november-19-20-1990-9783540544111","title":"Supercomputer and Chemistry 2: Debis Workshop 1990 Ottobrunn, November 19-20, 1990","description":"\u003cp\u003e • Author(s): Uwe Harms\u003cbr\u003e • Publisher: Springer\u003cbr\u003e • Publisher Imprint: Springer\u003cbr\u003e • BISAC: Chemistry - Clinical\u003c\/p\u003e\u003cp\u003e\u003c\/p\u003e\u003cp\u003eSupercomputing and networking are of great importance in the field of computer chemistry. In this volume some fundamen- tals are discussed; new results are presented in the paral- lelization of a direct SCF on workstations and of several application programs, in the long time dynamics of proteins and for the IGLO method. A general overview of quantum che- mical calculations of small molecules is included. That com- putational methods complement experimental approaches, is demonstrated with short-lived intermediates (carbocations, alkyl radicals) and the 3-D-structure of saruplase-domains.\u003c\/p\u003e","brand":"Springer","offers":[{"title":"Paperback","offer_id":45280734707863,"sku":"9783540544111","price":3672.0,"currency_code":"INR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0666\/3471\/1191\/files\/9783540544111.webp?v=1769297165","url":"https:\/\/atlanticbooks.com\/products\/supercomputer-and-chemistry-2-debis-workshop-1990-ottobrunn-november-19-20-1990-9783540544111","provider":"Atlantic Books","version":"1.0","type":"link"}