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Molecular Orbital Calculations for Biological Systems Anne-Marie Sapse (Professor of Chemistry, Professor of Chemistry, City University of New York Graduate School)

Molecular Orbital Calculations for Biological Systems By Anne-Marie Sapse (Professor of Chemistry, Professor of Chemistry, City University of New York Graduate School)

Molecular Orbital Calculations for Biological Systems by Anne-Marie Sapse (Professor of Chemistry, Professor of Chemistry, City University of New York Graduate School)


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Summary

This is a guide for the growing number of researchers in organic chemistry, biochemistry and molecular biology who would like to augment their experiments with theoretical calculations. The book teaches the use of quantum chemical computer programs while side-stepping the complex mathematics.

Molecular Orbital Calculations for Biological Systems Summary

Molecular Orbital Calculations for Biological Systems by Anne-Marie Sapse (Professor of Chemistry, Professor of Chemistry, City University of New York Graduate School)

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. The book focuses on what kinds of biological problems can be solved by quantum mechanical calculations and how to select the appropriate methods.

Table of Contents

Introduction ; 1. Ab Initio Calculations ; 2. An Introduction to the Theoretical Basis of Semi-Empirical Quantum Mechanical Methods for Biological Chemists ; 3. The Molecular Electrostatic Potential: A Tool for Understanding and Predicting Molecular Interactions ; 4. Applications of Density Functional Theory to Biological Systems ; 5. Om Comparing Experimental and Calculated Structural Parameters ; 6. An Initio Studies of Anti-Cancer Drugs ; 7. Ab Initio Calculations of Amino Acids and Peptides

Additional information

NPB9780195098730
9780195098730
0195098730
Molecular Orbital Calculations for Biological Systems by Anne-Marie Sapse (Professor of Chemistry, Professor of Chemistry, City University of New York Graduate School)
New
Hardback
Oxford University Press Inc
1998-11-26
248
N/A
Book picture is for illustrative purposes only, actual binding, cover or edition may vary.
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