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About this book
The target audience for this book is the large number of researchers in organic chemistry, biochemistry, and molecular biology who want to augment their experiments with theoretical calculations.
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
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