Molecular orbital calculations for biological systems /

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...

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Other Authors: Sapse, Anne-Marie, (Editor)
Language:English
Published: New York : Oxford University Press, 2020.
Series:Topics in physical chemistry.
Oxford scholarship online.
Subjects:
Online Access:Oxford scholarship online
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050 4 |a QP517.M66 
082 0 4 |a 541.28  |2 23 
245 0 0 |a Molecular orbital calculations for biological systems /  |c edited by Anne-Marie Sapse. 
264 1 |a New York :  |b Oxford University Press,  |c 2020. 
300 |a 1 online resource (248 pages) :  |b illustrations. 
336 |a text  |2 rdacontent 
336 |a still image  |2 rdacontent 
337 |a computer  |2 rdamedia 
338 |a online resource  |2 rdacarrier 
490 1 |a Topics in physical chemistry 
490 1 |a Oxford scholarship online 
500 |a Previously issued in print: 1998. 
504 |a Includes bibliographical references and index. 
520 8 |a 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. 
521 |a Specialized. 
588 |a Description based on print version record and publisher information. 
650 0 |a Molecular orbitals  |x Computer programs. 
650 0 |a Biomolecules. 
650 0 |a Peptides. 
650 0 |a Amino acids. 
650 0 |a Antineoplastic agents. 
700 1 |a Sapse, Anne-Marie,  |e editor. 
776 0 8 |i Print version :  |z 9780195098730 
830 0 |a Topics in physical chemistry. 
830 0 |a Oxford scholarship online. 
856 4 0 |3 Oxford scholarship online  |u https://dx.doi.org/10.1093/oso/9780195098730.001.0001