02023nam a2200433 i 4500 EDZ0002341327 StDuBDS 20201029163034.0 m|||||o||d|||||||| cr ||||||||||| 200915r20201998nyua fob 001|||eng|d 9780197560891 (ebook) : No price StDuBDS eng StDuBDS rda pn QP517.M66 541.28 23 Molecular orbital calculations for biological systems / edited by Anne-Marie Sapse. New York : Oxford University Press, 2020. 1 online resource (248 pages) : illustrations. text rdacontent still image rdacontent computer rdamedia online resource rdacarrier Topics in physical chemistry Oxford scholarship online Previously issued in print: 1998. Includes bibliographical references and index. This is a hands-on guide for the growing number of researchers in organic chemistry, biochemistry and molecular biology who would like to augment their experiments with theoretical calculations. Given the current availability of sophisticated software, non-quantum chemistry practitioners can obtain accurate computational results and save significant amounts of laboratory time. This book teaches the use of quantum chemical computer programs while side-stepping the complex mathematical details. Specialized. Description based on print version record and publisher information. Molecular orbitals Computer programs. Biomolecules. Peptides. Amino acids. Antineoplastic agents. Sapse, Anne-Marie, editor. Print version : 9780195098730 Topics in physical chemistry. Oxford scholarship online. Oxford scholarship online https://dx.doi.org/10.1093/oso/9780195098730.001.0001